methyl 4-[N-(4-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V020-7431 |
Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(cyclopropylmethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 416.9 |
Molecular Formula: | C22 H25 Cl N2 O4 |
Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC1CC1)C(c1ccc(cc1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1062 |
logD: | 4.1062 |
logSw: | -4.8395 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.959 |
InChI Key: | SZOPTDBUCRZMCX-AWEZNQCLSA-N |