2-(azepane-1-carbonyl)-5-[(3-chlorophenyl)methyl]-7-methyl[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-5-[(3-chlorophenyl)methyl]-7-methyl[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
2-(azepane-1-carbonyl)-5-[(3-chlorophenyl)methyl]-7-methyl[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
Compound characteristics
| Compound ID: | L152-0576 |
| Compound Name: | 2-(azepane-1-carbonyl)-5-[(3-chlorophenyl)methyl]-7-methyl[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1nc(C(N3CCCCCC3)=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7944 |
| logD: | 4.7944 |
| logSw: | -4.7636 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.603 |
| InChI Key: | XRUKQEKITJPXIO-UHFFFAOYSA-N |