methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-3494 |
| Compound Name: | methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | CCN(CC(c1c(C)c(C(=O)OC)n(C)c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.757 |
| logD: | 2.757 |
| logSw: | -3.1249 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.568 |
| InChI Key: | RPOOIPKCUVUNRG-UHFFFAOYSA-N |