2-{[(3-chlorophenyl)methyl]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-{[(3-chlorophenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(3-chlorophenyl)methyl]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: | F399-0500 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 492.06 |
| Molecular Formula: | C26 H22 Cl N3 O S2 |
| Smiles: | CC(C)c1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2cccc(c2)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2477 |
| logD: | 7.2477 |
| logSw: | -6.5591 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.672 |
| InChI Key: | HFMLHDNJJFYBRD-UHFFFAOYSA-N |