ethyl 3-{[N-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
ethyl 3-{[N-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
Compound characteristics
| Compound ID: | C436-2675 |
| Compound Name: | ethyl 3-{[N-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CN(c1ccc(C)cc1)S(c1c(C)n[nH]c1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.978 |
| logD: | 3.978 |
| logSw: | -3.9354 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.61 |
| InChI Key: | TVRDXFBHNPBFKP-UHFFFAOYSA-N |