methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-6080 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C23 H29 Cl N2 O4 |
| Smiles: | CC(C)CCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8677 |
| logD: | 4.8677 |
| logSw: | -5.1301 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.686 |
| InChI Key: | SAQFHGOWWNQNPE-INIZCTEOSA-N |