methyl 4-{[N-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
methyl 4-{[N-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate
Compound characteristics
| Compound ID: | C436-2212 |
| Compound Name: | methyl 4-{[N-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | Cc1ccc(cc1)N(CC(Nc1ccc(cc1)C(=O)OC)=O)S(c1c(C)noc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3322 |
| logD: | 3.3321 |
| logSw: | -3.6153 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.154 |
| InChI Key: | SCKQFZHXUOELRF-UHFFFAOYSA-N |