1805160
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6.4641
4.732
2.1953
3
2.134
3.866
3.866
6.4641
5.5981
6.4641
5.5981
4.732
7.358
5.5981
7.358
4.732
4.732
8.2641
8.2641
3.866
3.5
2.5
5.5981
4.732
3.866
3.8047
3
5.5981
4
2
3.5
2.5
3
4.732
2.134
5.8101
6.2087
4.1951
7.3509
5.5981
7.3509
4.1951
8.7998
8.7998
3.3291
4.394
6.135
4.62
1.38
3.81
2.19
5.269
4.403
1.824
1.597
2.444
2.3636
3.3636
-4.22
2.3636
-2.1364
-2.1364
-1.1364
5.3636
4.8636
6.3636
3.8636
5.3636
4.829
6.8636
6.8983
6.3636
2.3636
5.3428
6.3844
1.8636
-5.1662
-5.1662
1.8636
0.3636
0.8636
-4.22
-3.6364
0.8636
-6.0322
-6.0322
-6.8983
-6.8983
-2.6364
-0.6364
1.8636
3.281
3.9713
5.0536
4.209
7.4836
7.5182
6.6736
5.0307
6.6965
0.5536
-4.0274
0.5536
-6.0322
-6.0322
-7.4352
-7.4352
-0.9464
-2.4464
2.4005
1.5536
1.3267
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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
736
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B38000400000000000000000000000001200000003060C1800000000048C1F400001E02180000000C06E198263206C0620440A802B17310029208002425401A8801E68FD80F26B385B71F833922E4C8110AA98798DFF0EEA0000321001848004000064200309000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[3-chloro-5-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]benzofuran-2-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[3-chloro-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]methylideneamino]-2-benzofurancarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[3-chloranyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[[3-chloro-5-methoxy-4-(1-naphthylmethoxy)benzylidene]amino]coumarilamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C28H21ClN2O4/c1-33-25-14-18(16-30-31-28(32)26-15-20-8-3-5-12-24(20)35-26)13-23(29)27(25)34-17-21-10-6-9-19-7-2-4-11-22(19)21/h2-16H,17H2,1H3,(H,31,32)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UAHARGUROYNPSE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
6.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
484.118985
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C28H21ClN2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
484.93034
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3O2)Cl)OCC4=CC=CC5=CC=CC=C54
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=CC=CC=C3O2)Cl)OCC4=CC=CC5=CC=CC=C54
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
73.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
484.118985
35
0
0
0
1
0
1
0
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