2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0907 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 478.63 |
| Molecular Formula: | C25 H26 N4 O2 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCC(N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8341 |
| logD: | 4.8341 |
| logSw: | -4.6699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.395 |
| InChI Key: | DYDAGAODJRBMRH-UHFFFAOYSA-N |