7-bromo-9-methoxy-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-9-methoxy-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-9-methoxy-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0356 |
| Compound Name: | 7-bromo-9-methoxy-2-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 427.3 |
| Molecular Formula: | C21 H19 Br N2 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1843 |
| logD: | 4.9811 |
| logSw: | -5.084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.032 |
| InChI Key: | RMTJWGHSJPUJBO-UHFFFAOYSA-N |