ethyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-4111 |
| Compound Name: | ethyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 492.63 |
| Molecular Formula: | C25 H36 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CCC(C)C)S(c2ccc(cc2)OC)(=O)=O)=O)c(C)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4202 |
| logD: | 4.4202 |
| logSw: | -4.2756 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.839 |
| InChI Key: | OCCXMNHBPGRZLS-IBGZPJMESA-N |