N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}benzamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}benzamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}benzamide
Compound characteristics
| Compound ID: | Y500-0004 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}benzamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C20 H13 N3 O3 S2 |
| Smiles: | c1ccc(cc1)C(Nc1cc(cc(c1)Sc1nc2ccccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7167 |
| logD: | 5.7115 |
| logSw: | -5.8731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.521 |
| InChI Key: | MMHGYEPZAXAWCK-UHFFFAOYSA-N |