N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | 5174-3013 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | CC(C)c1ccc(/C=C/C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6698 |
| logD: | 4.6696 |
| logSw: | -4.478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.626 |
| InChI Key: | XTYGFKJYMJDAHC-UHFFFAOYSA-N |