2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0286 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3ccsc3C2=O)SCC(N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5689 |
| logD: | 4.5689 |
| logSw: | -4.2054 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.513 |
| InChI Key: | NKRADNRFYQPBKP-UHFFFAOYSA-N |