2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(2-ethoxyphenyl)methyl]pyrido[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-[(2-ethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(2-ethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0639 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(2-ethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C26 H28 N4 O3 S2 |
| Smiles: | CCOc1ccccc1CN1C(=Nc2c3cccnc3sc2C1=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7509 |
| logD: | 4.7509 |
| logSw: | -4.5514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.605 |
| InChI Key: | BNPFOWPZEBIGKE-UHFFFAOYSA-N |