N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 0508-1947 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C23 H17 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.0267 |
| logD: | 6.0267 |
| logSw: | -5.478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.947 |
| InChI Key: | GGQRUYBPVDDIFA-UHFFFAOYSA-N |