methyl 1,3,5-trimethyl-4-[N-(2-methylpropyl)-N-(thiophene-2-carbonyl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1,3,5-trimethyl-4-[N-(2-methylpropyl)-N-(thiophene-2-carbonyl)alanyl]-1H-pyrrole-2-carboxylate
methyl 1,3,5-trimethyl-4-[N-(2-methylpropyl)-N-(thiophene-2-carbonyl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V006-2935 |
Compound Name: | methyl 1,3,5-trimethyl-4-[N-(2-methylpropyl)-N-(thiophene-2-carbonyl)alanyl]-1H-pyrrole-2-carboxylate |
Molecular Weight: | 404.53 |
Molecular Formula: | C21 H28 N2 O4 S |
Smiles: | CC(C)CN(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)C(c1cccs1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6136 |
logD: | 3.6136 |
logSw: | -3.9543 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.553 |
InChI Key: | AYENUEHPKVDKOY-HNNXBMFYSA-N |