2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0765 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-benzylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C24 H24 N4 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CSC1=Nc2c3cccnc3sc2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4108 |
| logD: | 4.4108 |
| logSw: | -4.2793 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.395 |
| InChI Key: | WCUWOUGQMPJALB-UHFFFAOYSA-N |