7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0080 |
| Compound Name: | 7-bromo-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4391 |
| logD: | 3.4238 |
| logSw: | -3.7383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.695 |
| InChI Key: | YLTJKSQTJSUFCY-UHFFFAOYSA-N |