N-[2-(4-chlorophenyl)ethyl]-4-(10-methylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(10-methylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-4-(10-methylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0027 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(10-methylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 447.93 |
| Molecular Formula: | C23 H22 Cl N7 O |
| Smiles: | Cc1nc2c3ccccc3n3c(CCCC(NCCc4ccc(cc4)[Cl])=O)nnc3n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.053 |
| logD: | 1.2975 |
| logSw: | -2.8777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.567 |
| InChI Key: | BGEZOSLBKBCCJX-UHFFFAOYSA-N |