7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0078 |
| Compound Name: | 7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C18 H13 Br N2 O2 S |
| Smiles: | COc1cccc(c1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.6516 |
| logD: | 3.7131 |
| logSw: | -4.5884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.179 |
| InChI Key: | FGQUQJNABODFNK-UHFFFAOYSA-N |