N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-nitrophenyl)prop-2-enamide
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8016-3131 |
| Compound Name: | N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C17 H13 N3 O3 S |
| Smiles: | Cc1nc2ccc(cc2s1)NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2309 |
| logD: | 4.2309 |
| logSw: | -4.439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.025 |
| InChI Key: | IMIIXLWHJLFLSC-UHFFFAOYSA-N |