N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 4100-4247 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C17 H13 N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2473 |
| logD: | 3.2471 |
| logSw: | -3.7094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.008 |
| InChI Key: | VKRDDWOCODWNCD-UHFFFAOYSA-N |