methyl 3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V009-3165 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C18 H22 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N(C)CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6295 |
| logD: | 2.6295 |
| logSw: | -3.0971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.205 |
| InChI Key: | NPZPKNGNCUTOMN-UHFFFAOYSA-N |