ethyl 4-[N-(3-methoxypropyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(3-methoxypropyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(3-methoxypropyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V024-9551 |
| Compound Name: | ethyl 4-[N-(3-methoxypropyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C22 H30 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(CN(CCCOC)S(c2ccc(C)cc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2254 |
| logD: | 3.2254 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.917 |
| InChI Key: | FCDAYFQUVPMJNI-UHFFFAOYSA-N |