N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
Compound characteristics
| Compound ID: | Y031-1253 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C18 H18 N2 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CCS(Cc1ccccc1)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0106 |
| logD: | 3.0104 |
| logSw: | -3.4614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.178 |
| InChI Key: | QPIBWJIHWRJNPE-UHFFFAOYSA-N |