5-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazoline
5-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V030-2475 |
| Compound Name: | 5-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C27 H25 N7 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2CCN(CC2)c2nc3ccccc3c3nnc(c4ccccc4[N+]([O-])=O)n23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2656 |
| logD: | 3.0531 |
| logSw: | -4.3187 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.158 |
| InChI Key: | NFDQWUHSLQNQIO-UHFFFAOYSA-N |