2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E580-0012 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C21 H25 N3 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CSC1=NC2CCSC=2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.273 |
| logD: | 3.273 |
| logSw: | -3.2302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.831 |
| InChI Key: | QJVPKWNFMAIRTK-UHFFFAOYSA-N |