2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C144-0341 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C20 H22 F N3 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CSC1=NC2CCSC=2C(N1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8264 |
| logD: | 2.826 |
| logSw: | -3.0971 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.22 |
| InChI Key: | HUZRXSUWHFQXER-UHFFFAOYSA-N |