2-{3-chloro-5-ethoxy-4-[2-(2-phenoxyethoxy)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-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-chloro-5-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-1407 |
| Compound Name: | 2-{3-chloro-5-ethoxy-4-[2-(2-phenoxyethoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C28 H29 Cl N2 O5 S |
| Smiles: | CCOc1cc(cc(c1OCCOCCOc1ccccc1)[Cl])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.525 |
| logD: | 5.4771 |
| logSw: | -6.0169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.933 |
| InChI Key: | ZNIHFCVJPYHOTQ-UHFFFAOYSA-N |