2-(azepan-1-yl)-4-(3-chlorophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidine
Chemical Structure Depiction of
2-(azepan-1-yl)-4-(3-chlorophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidine
2-(azepan-1-yl)-4-(3-chlorophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidine
Compound characteristics
| Compound ID: | E130-0642 |
| Compound Name: | 2-(azepan-1-yl)-4-(3-chlorophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidine |
| Molecular Weight: | 391.9 |
| Molecular Formula: | C23 H22 Cl N3 O |
| Smiles: | C1CCCN(CC1)c1nc(c2cccc(c2)[Cl])c2COc3ccccc3c2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.5976 |
| logD: | 6.5927 |
| logSw: | -6.6536 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.9785 |
| InChI Key: | MPZYRMMYGUXOML-UHFFFAOYSA-N |