N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide
Compound characteristics
| Compound ID: | Y031-1281 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylmethanesulfonyl)propanamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C19 H22 N2 O4 S2 |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(CCS(Cc1ccccc1)(=O)=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1721 |
| logD: | 1.4631 |
| logSw: | -2.6885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.132 |
| InChI Key: | JOBHOQZIHAJWKW-UHFFFAOYSA-N |