2-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-0695 |
| Compound Name: | 2-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C25 H23 N3 O6 S |
| Smiles: | COc1ccccc1OCCOc1ccc(cc1C1NC(c2c3CCCCc3sc2N=1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6526 |
| logD: | 3.1388 |
| logSw: | -4.6193 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.463 |
| InChI Key: | UJDSEJILDSRYGR-UHFFFAOYSA-N |