7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0358 |
| Compound Name: | 7-bromo-9-methoxy-2-(3-methoxyphenyl)-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: | COc1cccc(c1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.639 |
| logD: | 3.1128 |
| logSw: | -4.5639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.493 |
| InChI Key: | HEXJMLFQOINOOJ-UHFFFAOYSA-N |