7-bromo-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0097 |
| Compound Name: | 7-bromo-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 413.33 |
| Molecular Formula: | C20 H17 Br N2 O S |
| Smiles: | CC(C)c1ccc(cc1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.0051 |
| logD: | 6.0051 |
| logSw: | -5.6846 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | MXVODSXBNYRZPO-UHFFFAOYSA-N |