methyl 4-{[N-(butan-2-yl)-2,5-dimethylbenzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[N-(butan-2-yl)-2,5-dimethylbenzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{[N-(butan-2-yl)-2,5-dimethylbenzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | M474-0150 |
| Compound Name: | methyl 4-{[N-(butan-2-yl)-2,5-dimethylbenzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C22 H30 N2 O3 |
| Smiles: | CCC(C)N(Cc1c(C)c(C(=O)OC)[nH]c1C)C(c1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9269 |
| logD: | 4.9269 |
| logSw: | -4.5922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.933 |
| InChI Key: | DTFJBTCZEWPKOF-HNNXBMFYSA-N |