7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0083 |
| Compound Name: | 7-bromo-2-(3,4,5-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: | COc1cc(cc(c1OC)OC)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.2473 |
| logD: | 2.8407 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.613 |
| InChI Key: | DTDHKACOHHKZTL-UHFFFAOYSA-N |