7-bromo-2-(2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0379 |
| Compound Name: | 7-bromo-2-(2-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(c4ccccc4O)NC3=S)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7332 |
| logD: | 4.7332 |
| logSw: | -4.1258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.498 |
| InChI Key: | UVVWHGLPOOVRGD-UHFFFAOYSA-N |