3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2921 |
| Compound Name: | 3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide |
| Molecular Weight: | 360.86 |
| Molecular Formula: | C18 H17 Cl N2 O2 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(/C=C/c1ccc(cc1)[Cl])=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.791 |
| logD: | 4.5604 |
| logSw: | -5.0831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.832 |
| InChI Key: | XIAFUGQQBBQWIM-UHFFFAOYSA-N |