N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 2042-2732 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 325.34 |
| Molecular Formula: | C16 H11 N3 O3 S |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5619 |
| logD: | 4.5618 |
| logSw: | -4.6371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.259 |
| InChI Key: | KAPACXMPYXILDE-UHFFFAOYSA-N |