2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0940 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 396.93 |
| Molecular Formula: | C18 H18 Cl F N2 O S2 |
| Smiles: | CC(C)CCN1C(=Nc2ccsc2C1=O)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.865 |
| logD: | 5.865 |
| logSw: | -6.0261 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.0393 |
| InChI Key: | MBMIIXSDRAGVMA-UHFFFAOYSA-N |