methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-3034 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C22 H25 Cl N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)n(C)c1C)=O)N(CC=C)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.584 |
| logD: | 3.584 |
| logSw: | -4.5249 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.513 |
| InChI Key: | IGCOVBUYXIQHHX-HNNXBMFYSA-N |