N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0199 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CCC1NC(c2c3CCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6666 |
| logD: | 3.666 |
| logSw: | -4.2419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.873 |
| InChI Key: | VCBLHTBQUKHGIH-UHFFFAOYSA-N |