methyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
methyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | E881-0020 |
| Compound Name: | methyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate |
| Molecular Weight: | 333.35 |
| Molecular Formula: | C18 H15 N5 O2 |
| Smiles: | Cc1nnc2c3ccccc3nc(Nc3ccc(cc3)C(=O)OC)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.1132 |
| logD: | 2.9615 |
| logSw: | -3.3179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.042 |
| InChI Key: | KFIVMTCRUKFAGI-UHFFFAOYSA-N |