2-(3-bromo-4-methoxyphenyl)-9-ethoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-9-ethoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(3-bromo-4-methoxyphenyl)-9-ethoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0166 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-9-ethoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C20 H17 Br N2 O3 S |
| Smiles: | CCOc1cccc2CC3=C(N=C(c4ccc(c(c4)[Br])OC)NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9321 |
| logD: | 4.9321 |
| logSw: | -4.7289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.16 |
| InChI Key: | FYOAQWYHHRVDTI-UHFFFAOYSA-N |