N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1-methyl-1H-pyrazole-5-carboxamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-0373 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C18 H13 N5 O3 S2 |
| Smiles: | Cn1c(ccn1)C(Nc1cc(cc(c1)Sc1nc2ccccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1937 |
| logD: | 4.1877 |
| logSw: | -4.387 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.171 |
| InChI Key: | ZNXOGPQRPWMBMC-UHFFFAOYSA-N |