4-({[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}methyl)benzoic acid
4-({[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | 8019-5027 |
| Compound Name: | 4-({[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}methyl)benzoic acid |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | Cc1cc(C)n(c2c(NCc3ccc(cc3)C(O)=O)nc3ccc(cc3n2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2528 |
| logD: | 1.2813 |
| logSw: | -4.3519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.258 |
| InChI Key: | GTQIXMUMNLJKRL-UHFFFAOYSA-N |