ethyl 3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoate
ethyl 3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoate
Compound characteristics
| Compound ID: | C517-1164 |
| Compound Name: | ethyl 3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C24 H28 N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CN(c1ccc(C)cc1)S(c1c(C)nn(C)c1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4242 |
| logD: | 3.4242 |
| logSw: | -3.6809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.535 |
| InChI Key: | YHDZXLFNWWZAEU-UHFFFAOYSA-N |