5765248
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255
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2.866
7.1962
4.6551
8.0622
5.4641
7.1962
4.5981
5.4641
4.5981
3.732
5.4641
6.3301
3.732
6.3301
5.4641
4.5981
5.4641
8.0622
5.4641
8.9282
2
6.2731
9.7942
8.9282
5.9641
10.6603
9.7942
10.6603
4.9641
4.386
3.9875
5.6762
6.0747
4.9272
6.001
3.1951
6.001
4.5981
7.1962
4.9272
1.69
1.4631
2.31
6.8628
9.7942
8.3913
11.1972
9.7942
6.3285
11.1972
4.5997
-2.5194
-0.0194
3.5684
0.4806
-0.0194
1.9806
-1.5194
-1.0194
-2.5194
-3.0194
-3.0194
0.4806
-4.0194
1.4806
-4.0194
-4.5194
1.9806
1.4806
2.9806
1.9806
-3.0194
3.5684
1.4806
2.9806
4.5194
1.9806
3.4806
2.9806
4.5194
-0.9368
-1.6271
-1.602
-0.9118
0.2906
-2.7094
-4.3294
-4.3294
-5.1394
2.6006
1.6706
-2.4825
-3.3294
-3.5564
3.3768
0.8606
3.2906
1.6706
4.1006
5.021
3.2906
5.021
8
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3
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
571
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
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
00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C7B8C8A08E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(2-furanyl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-17(21)13-14-24-23(27)20(16-19-11-7-15-29-19)25-22(26)18-9-3-2-4-10-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)/b20-16-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
CGWOJIGXPHSRQA-SILNSSARSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.157957
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H22N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.43178
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CCNC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.157957
29
0
0
0
1
1
0
0
1
4