7-bromo-2-(4-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-(4-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-(4-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0072 |
| Compound Name: | 7-bromo-2-(4-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 385.28 |
| Molecular Formula: | C18 H13 Br N2 O S |
| Smiles: | Cc1ccc(cc1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.0903 |
| logD: | 5.0903 |
| logSw: | -4.9843 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | CBGSSQIBVYXYSJ-UHFFFAOYSA-N |