N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3149 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C17 H13 N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(/C=C/c1ccccc1[N+]([O-])=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0324 |
| logD: | 3.0321 |
| logSw: | -3.72 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.707 |
| InChI Key: | MPIHACPXYYCICD-UHFFFAOYSA-N |