2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0463 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 474 |
| Molecular Formula: | C21 H13 Cl F N3 O S3 |
| Smiles: | C(c1cccs1)N1C(=Nc2c3cccnc3sc2C1=O)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.8101 |
| logD: | 5.8101 |
| logSw: | -6.1519 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.69 |
| InChI Key: | VPGUVDIPGMQQPV-UHFFFAOYSA-N |