[4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V025-2945 |
| Compound Name: | [4-(3-benzyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C29 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(C)c(c1)[N+]([O-])=O)=O)c1nc2ccccc2c2nnc(Cc3ccccc3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7108 |
| logD: | 4.6945 |
| logSw: | -4.8232 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.724 |
| InChI Key: | VCVIKIKTXNONBB-FQEVSTJZSA-N |