methyl 4-[(8-chloro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(8-chloro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoate
methyl 4-[(8-chloro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | C850-0245 |
| Compound Name: | methyl 4-[(8-chloro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoate |
| Molecular Weight: | 353.77 |
| Molecular Formula: | C17 H12 Cl N5 O2 |
| Smiles: | COC(c1ccc(cc1)Nc1c2nncn2c2cc(ccc2n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5331 |
| logD: | 3.5186 |
| logSw: | -4.0725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.252 |
| InChI Key: | MLTJUZQEFHUTJP-UHFFFAOYSA-N |