7-bromo-2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0369 |
| Compound Name: | 7-bromo-2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 417.28 |
| Molecular Formula: | C18 H13 Br N2 O3 S |
| Smiles: | COc1cc(cc2CC3=C(N=C(c4cccc(c4)O)NC3=S)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1838 |
| logD: | 4.1838 |
| logSw: | -4.2881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.567 |
| InChI Key: | ZOLYTFVUYVASLO-UHFFFAOYSA-N |