4476969
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4.6783
5.4883
4.3709
5.6103
5.5637
4.9889
5.2619
3.9639
4.2746
3.732
4.6783
3.732
4.3211
5.9674
2.866
2.866
2
2
6.6353
6.2781
4.6318
7.6138
7.2566
7.9244
3.9174
3.6067
4.8959
3.2496
5.2066
3.5602
4.5387
6.5422
3.7742
3.9385
2.866
2.866
1.4631
1.4631
6.4427
5.864
8.0279
7.4492
8.5311
3.3572
3
2.6429
5.8132
3.1461
4.7313
6.6701
7.1489
6.4144
-4.297
-4.8833
-5.2485
0.1641
2.8094
-1.737
-3.4922
0.7022
1.6527
-2.9922
-2.6875
-3.9922
-0.9927
-1.5308
-2.4922
-4.4922
-2.9922
-3.9922
-2.275
-0.5802
-0.0421
-2.0688
-0.374
-1.1183
3.3475
2.397
3.5537
4.0918
4.5042
5.0423
5.2485
3.0156
-0.7006
-1.4806
-1.8722
-5.1122
-2.6822
-4.3022
-2.8644
-0.1188
-2.5303
0.2153
-0.9905
0.5743
2.2691
3.964
4.6321
5.5038
5.8379
2.409
3.1435
3.6223
1
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
816
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07BB8004000000000000000000000000001000000003060C0000000000040015000001E04184000000C0CC1D80633C783620402A80237737070D208102122001B8818AE6C980C66A2C4B9BB94302864D811C8E80790C0200E00000000000C00000000000000180000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-N-[(2-methoxyphenyl)methyleneamino]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-N-[(2-methoxyphenyl)methylideneamino]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-N-[(2-methoxyphenyl)methylideneamino]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]-N-[(2-methoxyphenyl)methylideneamino]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)-N-(o-anisylideneamino)acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C23H20N4O4S/c1-31-20-13-7-5-9-17(20)15-24-25-22(28)16-27(18-10-3-2-4-11-18)23-19-12-6-8-14-21(19)32(29,30)26-23/h2-15H,16H2,1H3,(H,25,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
YQRPMQOKAUFGAE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
448.120526
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C23H20N4O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
448.4943
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC=CC=C1C=NNC(=O)CN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC=CC=C1C=NNC(=O)CN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
448.120526
32
0
0
0
1
0
1
0
1
2