2-(5-chloro-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(5-chloro-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(5-chloro-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2598 |
| Compound Name: | 2-(5-chloro-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 523.05 |
| Molecular Formula: | C28 H27 Cl N2 O4 S |
| Smiles: | COc1cc(CC=C)ccc1OCCOc1ccc(cc1C1NC(c2c3CCCCc3sc2N=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2077 |
| logD: | 4.9237 |
| logSw: | -6.1754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.082 |
| InChI Key: | YDSJCXLWPBFVRC-UHFFFAOYSA-N |