(3-methylphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(3-methylphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone
(3-methylphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V023-9529 |
| Compound Name: | (3-methylphenyl){4-[3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C27 H23 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C(N1CCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9722 |
| logD: | 3.9662 |
| logSw: | -4.1583 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.53 |
| InChI Key: | PMXSVJAVQCQPIY-UHFFFAOYSA-N |