2-(5-bromo-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(5-bromo-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(5-bromo-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0031 |
| Compound Name: | 2-(5-bromo-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 371.19 |
| Molecular Formula: | C17 H11 Br N2 O3 |
| Smiles: | C1C2=C(N=C(c3cc(ccc3O)[Br])NC2=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1713 |
| logD: | 2.8657 |
| logSw: | -4.0649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.265 |
| InChI Key: | YSRPGBQEFQZQSC-UHFFFAOYSA-N |