7-bromo-2-(3-hydroxy-4-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3-hydroxy-4-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3-hydroxy-4-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0347 |
| Compound Name: | 7-bromo-2-(3-hydroxy-4-methoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 431.24 |
| Molecular Formula: | C19 H15 Br N2 O5 |
| Smiles: | COc1ccc(cc1O)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3192 |
| logD: | 3.2096 |
| logSw: | -3.5395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.21 |
| InChI Key: | ZPAGDLSQMMMQRN-UHFFFAOYSA-N |