49789590
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255
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5.5443
4.5981
2.866
5.8578
2.866
6.8083
4.5981
5.5443
4.5981
3.732
5.855
3.732
6.1279
2.866
2.866
5.2686
3.732
6.8066
2.866
5.5504
3.732
2
3.732
2
2.866
2
3.732
6.7479
2.3291
2.3291
4.6486
7.3075
2.3291
4.9604
5.3598
6.1404
4.269
1.4631
4.269
1.4631
2.31
1.4631
1.69
-0.5328
1.1624
5.1624
-4.7108
1.1624
-4.4002
-1.8376
-2.1423
-0.8376
-0.3376
-3.0928
-2.3376
-1.3376
-0.8376
-1.8376
-3.9028
0.6624
-3.4002
2.1624
-5.6624
2.6624
2.6624
3.6624
3.6624
4.1624
5.6624
-2.9576
-1.3376
-0.5276
-2.1476
-3.9039
-3.0349
0.8524
-5.4719
-6.2524
-5.853
2.3524
2.3524
3.9724
3.9724
6.1994
5.9724
5.1255
8
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1
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9
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6
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0
Compound
Canonicalized
5
2010.09.21
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
495
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B300000000000000000000000000000016240000030600000000000004801FC00001E00180000000C0CE19A063EC6D2C80440AA02BD77D400920C0035A20018D8212E6CD80C26BECCF5DB86BD68E6FC11C8E987BCD9F28E80400200000800000080040000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-3-(1-methyl-4-pyrazolyl)-7-benzofurancarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H17N3O3/c1-23-11-13(10-21-23)18-12-26-19-16(18)4-3-5-17(19)20(24)22-14-6-8-15(25-2)9-7-14/h3-12H,1-2H3,(H,22,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
LQDARAKXXUIIQG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
347.126991
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H17N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
347.36728
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NC4=CC=C(C=C4)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NC4=CC=C(C=C4)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
69.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
347.126991
26
0
0
0
0
0
0
0
1
2