2-{3-chloro-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-chloro-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-chloro-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2233 |
| Compound Name: | 2-{3-chloro-5-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-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: | CCc1cc(C)cc(c1)OCCOc1c(cc(cc1[Cl])C1NC(c2c3CCCCc3sc2N=1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 7.2596 |
| logD: | 7.2118 |
| logSw: | -6.7886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.661 |
| InChI Key: | OOYNSZFKWXAHMM-UHFFFAOYSA-N |