7-bromo-2-(4-ethylphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(4-ethylphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(4-ethylphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0378 |
| Compound Name: | 7-bromo-2-(4-ethylphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 429.33 |
| Molecular Formula: | C20 H17 Br N2 O2 S |
| Smiles: | CCc1ccc(cc1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.585 |
| logD: | 5.585 |
| logSw: | -5.5233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.95 |
| InChI Key: | YYIAMAMGVDRLIE-UHFFFAOYSA-N |