methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V024-5357 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C23 H27 Cl N2 O4 |
| Smiles: | CCn1c(C)c(C(C(C)N(CC=C)C(c2ccc(cc2)[Cl])=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2019 |
| logD: | 4.2019 |
| logSw: | -4.8542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.427 |
| InChI Key: | BQUSZMNLRSCOEQ-INIZCTEOSA-N |