2-{[2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | C200-9297 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-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: | 520.07 |
| Molecular Formula: | C27 H22 Cl N3 O2 S2 |
| Smiles: | CC(C)c1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCC(c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7121 |
| logD: | 6.7121 |
| logSw: | -6.5098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.918 |
| InChI Key: | LSPQLGSAGWWWQY-UHFFFAOYSA-N |