N-[3-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
N-[3-(methylsulfanyl)phenyl]-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: | F145-0549 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1625 |
| logD: | 4.1619 |
| logSw: | -4.405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.204 |
| InChI Key: | MITHQRQSNMRXSL-UHFFFAOYSA-N |