{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V021-2065 |
| Compound Name: | {4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C27 H23 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCN(CC3)C(c3ccc(cc3)[N+]([O-])=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6566 |
| logD: | 4.5955 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.831 |
| InChI Key: | UGPATJNBONZGSD-UHFFFAOYSA-N |