1-[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | V017-2202 |
| Compound Name: | 1-[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 455 |
| Molecular Formula: | C24 H31 Cl N6 O |
| Smiles: | CC(C)C(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(C3CCCCC3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3445 |
| logD: | 5.3444 |
| logSw: | -5.9012 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.244 |
| InChI Key: | KMEMLZSJBJRRAB-UHFFFAOYSA-N |