N-benzyl-N-methyl-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Chemical Structure Depiction of
N-benzyl-N-methyl-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
N-benzyl-N-methyl-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Compound characteristics
| Compound ID: | V007-6538 |
| Compound Name: | N-benzyl-N-methyl-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-amine |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C23 H18 N6 O2 |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)c1nc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5254 |
| logD: | 4.5229 |
| logSw: | -4.5017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.576 |
| InChI Key: | XSZGCCHZCDQKPI-UHFFFAOYSA-N |