2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C144-0180 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | COc1ccccc1N1C(=NC2CCSC=2C1=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6567 |
| logD: | 2.6551 |
| logSw: | -2.9382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.549 |
| InChI Key: | WADOWEBHRFDBSU-UHFFFAOYSA-N |