7-bromo-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0084 |
| Compound Name: | 7-bromo-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 461.33 |
| Molecular Formula: | C20 H17 Br N2 O4 S |
| Smiles: | COc1ccc(C2NC(C3Cc4cc(ccc4OC=3N=2)[Br])=S)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3395 |
| logD: | 4.3395 |
| logSw: | -4.4758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.699 |
| InChI Key: | NMNIMVBSZATPHE-UHFFFAOYSA-N |