1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V003-7627 |
| Compound Name: | 1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 522.01 |
| Molecular Formula: | C26 H28 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3357 |
| logD: | 5.3297 |
| logSw: | -5.8331 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.605 |
| InChI Key: | QZLGKZGAZOLLJE-UHFFFAOYSA-N |