60579588
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11.5542
8.0622
13.3244
4.5981
7.1962
11.5542
3.732
3.732
2.866
2
2.866
2
5.4641
4.5981
6.3301
8.0622
7.1962
8.9282
9.7942
8.9282
10.6603
10.6603
9.7942
12.4603
12.4603
3.732
2.4675
3.2646
4.3426
3.9441
1.3894
1.788
3.2646
2.4675
1.788
1.3894
5.8626
5.0656
3.9781
4.5981
5.2181
5.9316
6.7287
7.8162
7.1962
6.5762
9.7942
8.3913
9.7942
11.547
13.0711
12.6693
1.5173
-1.5173
-0.5415
-0.5173
-0.0173
-0.552
-0.0173
0.9827
-0.5173
-0.0173
1.4827
0.9827
-0.0173
-1.5173
-0.5173
-0.5173
0.9827
-0.0173
-0.5173
0.9827
-0.0173
0.9827
1.4827
1.0035
-0.0381
-0.6373
-0.9923
-0.9923
0.875
1.5653
0.0903
-0.5999
1.9576
1.9576
1.5653
0.875
0.4576
0.4576
-1.5173
-2.1373
-1.5173
-0.9923
-0.9923
0.9827
1.6027
0.9827
-1.1373
1.2927
2.1027
-1.172
0.8974
1.5872
8
8
8
8
8
8
18
18
19
20
21
22
19
20
21
23
22
23
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
481
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B30004000000000000000000000000000000000003C6080000000000000B10000001E04100000000C28C5D804B2C183C00008880225525000820000250A1008881D0864C8086032E09591942108609600E8C9871C88008E10000040000001002000008000000200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-keto-N-methyl-4H-1,4-benzothiazine-6-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H27N3O2S/c1-21(15-6-4-3-5-7-15)10-11-22(2)19(24)14-8-9-17-16(12-14)20-18(23)13-25-17/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
BZZSHXXKGCVPNZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
361.182398
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H27N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
361.50158
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
78
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
361.182398
25
0
0
0
0
0
0
0
1
3