3-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0779 |
| Compound Name: | 3-butyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H18 F N3 O2 S2 |
| Smiles: | CCCCN1C(=Nc2c3cccnc3sc2C1=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4698 |
| logD: | 4.4698 |
| logSw: | -4.1485 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.168 |
| InChI Key: | BMMMTISYLIZKPU-UHFFFAOYSA-N |