2813011
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8.0622
8.9282
7.1962
10.6603
2.866
9.7942
9.7942
10.6603
6.3301
8.9282
10.6603
10.6603
8.0622
8.9282
9.7942
7.1962
10.6603
5.4641
9.7942
11.5263
5.4641
4.5981
9.7942
11.5263
10.6603
4.5981
3.732
3.732
11.5263
11.5263
10.6603
12.3923
10.6603
12.3923
11.5263
2
8.9282
10.8723
11.2708
11.2708
10.8723
7.6636
8.4607
9.7942
11.1972
6.3301
9.2573
12.0632
6.001
4.5981
9.2573
12.0632
4.5981
3.1951
12.1369
11.7383
10.1233
12.9292
10.1233
12.9292
11.5263
1.69
1.4631
2.31
5.19
1.69
4.69
-2.31
5.19
3.19
5.19
1.69
3.19
3.69
3.69
4.69
3.19
4.69
2.19
3.69
0.69
3.69
0.19
0.19
4.69
3.19
-0.81
-0.81
-1.31
5.19
3.69
4.69
-2.81
-3.81
-4.31
-4.31
-5.31
-5.31
-5.81
4.69
3.07
3.1074
3.7977
4.5823
5.2726
2.7151
2.7151
5.81
2
2.57
0.5
0.5
5
2.57
-1.12
-1.12
5.81
3.38
-2.9177
-2.2274
-4
-4
-5.62
-5.62
-6.43
5.2269
4.38
4.1531
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
728
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BB8000000000000000000000000000000000000003C60C1000000000000015000001E00100000000C2CE1980633C683C004008802255250008208002122000888818E6C888C663AC4F1BB963828ECD613C8E827B5C0200E00400000000000000080000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-benzyloxyphenyl)-2-[2-(4-methoxyanilino)-2-oxo-ethyl]-3-oxo-piperazine-1-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-N-(4-phenylmethoxyphenyl)-1-piperazinecarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-benzoxyphenyl)-3-keto-2-[2-keto-2-(p-anisidino)ethyl]piperazine-1-carboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C27H28N4O5/c1-35-22-11-7-20(8-12-22)29-25(32)17-24-26(33)28-15-16-31(24)27(34)30-21-9-13-23(14-10-21)36-18-19-5-3-2-4-6-19/h2-14,24H,15-18H2,1H3,(H,28,33)(H,29,32)(H,30,34)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IBXCEHDUNQTQTE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
488.20597
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C27H28N4O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
488.53502
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
488.20597
36
1
0
1
0
0
0
0
1
18