7-bromo-2-(2,4-dimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(2,4-dimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(2,4-dimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0086 |
| Compound Name: | 7-bromo-2-(2,4-dimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C19 H15 Br N2 O3 S |
| Smiles: | COc1ccc(C2NC(C3Cc4cc(ccc4OC=3N=2)[Br])=S)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5224 |
| logD: | 4.5224 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.809 |
| InChI Key: | SSAUIXXRSPKFJL-UHFFFAOYSA-N |