7-bromo-2-(3-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0766 |
| Compound Name: | 7-bromo-2-(3-methylphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 369.22 |
| Molecular Formula: | C18 H13 Br N2 O2 |
| Smiles: | Cc1cccc(c1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1523 |
| logD: | 3.7529 |
| logSw: | -4.4546 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.717 |
| InChI Key: | RKOJVBJEMSVOJM-UHFFFAOYSA-N |