methyl 1,3,5-trimethyl-4-[N-(4-methylbenzoyl)-N-(propan-2-yl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1,3,5-trimethyl-4-[N-(4-methylbenzoyl)-N-(propan-2-yl)alanyl]-1H-pyrrole-2-carboxylate
methyl 1,3,5-trimethyl-4-[N-(4-methylbenzoyl)-N-(propan-2-yl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-8523 |
| Compound Name: | methyl 1,3,5-trimethyl-4-[N-(4-methylbenzoyl)-N-(propan-2-yl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C23 H30 N2 O4 |
| Smiles: | CC(C)N(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3705 |
| logD: | 3.3705 |
| logSw: | -3.5651 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.386 |
| InChI Key: | ZHNUBGFHBASYQB-KRWDZBQOSA-N |