butyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
butyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | E881-0059 |
| Compound Name: | butyl 4-[(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1nc2ccccc2c2nnc(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6086 |
| logD: | 4.4568 |
| logSw: | -4.2932 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.916 |
| InChI Key: | YCMKOEQUAWVULH-UHFFFAOYSA-N |