methyl 1,3,5-trimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-propylglycyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1,3,5-trimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-propylglycyl]-1H-pyrrole-2-carboxylate
methyl 1,3,5-trimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-propylglycyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-0711 |
| Compound Name: | methyl 1,3,5-trimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-propylglycyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CCCN(CC(c1c(C)c(C(=O)OC)n(C)c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3332 |
| logD: | 3.3332 |
| logSw: | -3.7294 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.822 |
| InChI Key: | HWWZNXQQJDQMKV-UHFFFAOYSA-N |