methyl 3,5-dimethyl-4-[N-(4-methylbenzoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(4-methylbenzoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(4-methylbenzoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8002 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(4-methylbenzoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC=C)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5867 |
| logD: | 3.5867 |
| logSw: | -3.7359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.686 |
| InChI Key: | OSIBDPKWZNLIRC-INIZCTEOSA-N |