ethyl 1-ethyl-4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 1-ethyl-4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-9281 |
| Compound Name: | ethyl 1-ethyl-4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OCC)n(CC)c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1389 |
| logD: | 4.1389 |
| logSw: | -4.1567 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.956 |
| InChI Key: | KKTDHCKECDZCEY-SFHVURJKSA-N |