7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0075 |
| Compound Name: | 7-bromo-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 385.21 |
| Molecular Formula: | C18 H13 Br N2 O3 |
| Smiles: | COc1cccc(c1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8434 |
| logD: | 3.7959 |
| logSw: | -4.1918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.261 |
| InChI Key: | GRYDJQSTTZBOBG-UHFFFAOYSA-N |