ethyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl]-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2154 |
| Compound Name: | ethyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)glycyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CCOC(c1c(C)c(C(CN(CC(C)C)S(c2ccc(C)cc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2658 |
| logD: | 4.2658 |
| logSw: | -4.2321 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.596 |
| InChI Key: | QWKNOLUSXZXNKU-UHFFFAOYSA-N |