2-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2177 |
| Compound Name: | 2-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 539.09 |
| Molecular Formula: | C29 H31 Cl N2 O4 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1c(cc(cc1[Cl])C1NC(c2c3CCCCc3sc2N=1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3815 |
| logD: | 7.3337 |
| logSw: | -6.7398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.082 |
| InChI Key: | PCWUYBRUMRVQLE-KRWDZBQOSA-N |