N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | Y508-0737 |
Compound Name: | N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
Molecular Weight: | 428.47 |
Molecular Formula: | C19 H20 N6 O4 S |
Smiles: | Cn1cc(c(C(Nc2ccc3c(c2)sc(NC(C2CCCCC2)=O)n3)=O)n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.3684 |
logD: | 3.3281 |
logSw: | -3.712 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 104.811 |
InChI Key: | CQSGGQOTHNHEBP-UHFFFAOYSA-N |