2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0595 |
| Compound Name: | 2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C27 H30 N4 O2 S2 |
| Smiles: | CC1CCCN(C1)C(CSC1=Nc2c3cccnc3sc2C(N1Cc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6198 |
| logD: | 5.6198 |
| logSw: | -5.5277 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.997 |
| InChI Key: | SZMKAXYIOZIWMZ-SFHVURJKSA-N |