cyclobutyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclobutyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
cyclobutyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V023-9495 |
| Compound Name: | cyclobutyl{4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C25 H25 N7 O3 |
| Salt: | not_available |
| Smiles: | C1CC(C1)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2686 |
| logD: | 3.2626 |
| logSw: | -3.7319 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.384 |
| InChI Key: | HUYXVGMEFVVRCJ-UHFFFAOYSA-N |