2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0883 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 441.54 |
| Molecular Formula: | C22 H20 F N3 O2 S2 |
| Smiles: | CC(C)CCN1C(=Nc2c3cccnc3sc2C1=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7849 |
| logD: | 4.7849 |
| logSw: | -4.6678 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.168 |
| InChI Key: | NNNOHPLZOGGGIY-UHFFFAOYSA-N |