7-bromo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0742 |
| Compound Name: | 7-bromo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 411.25 |
| Molecular Formula: | C20 H15 Br N2 O3 |
| Smiles: | C=CCOc1ccc(cc1)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3919 |
| logD: | 4.306 |
| logSw: | -4.551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.134 |
| InChI Key: | GTSPPUIFRGPREQ-UHFFFAOYSA-N |