ethyl 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | G793-0016 |
Compound Name: | ethyl 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 431.96 |
Molecular Formula: | C23 H30 Cl N3 O3 |
Smiles: | CCOC(c1c(C)c(CCC(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 4.4753 |
logD: | 4.4753 |
logSw: | -4.4581 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.054 |
InChI Key: | XMZWHAOTROOYRQ-UHFFFAOYSA-N |