7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0339 |
| Compound Name: | 7-bromo-9-methoxy-2-(3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C19 H15 Br N2 O4 |
| Smiles: | COc1cccc(c1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8308 |
| logD: | 3.7736 |
| logSw: | -4.1978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.575 |
| InChI Key: | WALFHGVBLUIADC-UHFFFAOYSA-N |