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 |