N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 8008-8574 |
| Compound Name: | N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C24 H18 N4 O4 S2 |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)NC(/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8889 |
| logD: | 5.8882 |
| logSw: | -5.8991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.457 |
| InChI Key: | OQKHBOWKKBDKAB-UHFFFAOYSA-N |