N-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
N-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0596 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0917 |
| logD: | 5.0911 |
| logSw: | -5.6837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.204 |
| InChI Key: | FIWAKOZGRHCKDQ-UHFFFAOYSA-N |