N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
Compound characteristics
| Compound ID: | 3333-4113 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C18 H20 N2 O2 S2 |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(CCSc1ccccc1)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8971 |
| logD: | 3.3969 |
| logSw: | -4.0404 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.832 |
| InChI Key: | DJEWNYQUWUHBNZ-UHFFFAOYSA-N |