N-(4-chloro-1,3-benzothiazol-7-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(4-chloro-1,3-benzothiazol-7-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(4-chloro-1,3-benzothiazol-7-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | F488-0026 |
| Compound Name: | N-(4-chloro-1,3-benzothiazol-7-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 359.79 |
| Molecular Formula: | C16 H10 Cl N3 O3 S |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c2c1scn2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3495 |
| logD: | 4.3399 |
| logSw: | -4.6928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.913 |
| InChI Key: | VFSJSTPRUNFCLQ-UHFFFAOYSA-N |