7-bromo-2-(2-hydroxy-3-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(2-hydroxy-3-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(2-hydroxy-3-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0380 |
| Compound Name: | 7-bromo-2-(2-hydroxy-3-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C19 H15 Br N2 O4 S |
| Smiles: | COc1cccc(C2NC(C3Cc4cc(cc(c4OC=3N=2)OC)[Br])=S)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.2373 |
| logD: | 4.2373 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.059 |
| InChI Key: | IROFXFYACCFSLT-UHFFFAOYSA-N |