3-{5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-1-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-1-yl}-N-(propan-2-yl)propanamide
3-{5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-1-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | C200-6775 |
| Compound Name: | 3-{5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-1-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C24 H25 Cl N6 O3 |
| Smiles: | CC(C)NC(CCc1nnc2C(N(CC(Nc3cc(ccc3C)[Cl])=O)c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9373 |
| logD: | 1.937 |
| logSw: | -2.9692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.245 |
| InChI Key: | FCJMFYFPKWSWMN-UHFFFAOYSA-N |