(4-methyl-3-nitrophenyl){4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-methyl-3-nitrophenyl){4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
(4-methyl-3-nitrophenyl){4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V025-1501 |
| Compound Name: | (4-methyl-3-nitrophenyl){4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C29 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nnc2c3ccccc3nc(N3CCCN(CC3)C(c3ccc(C)c(c3)[N+]([O-])=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.9233 |
| logD: | 4.8073 |
| logSw: | -4.8221 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.861 |
| InChI Key: | CTXGIITZAFTEDR-UHFFFAOYSA-N |