ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | E966-1330 |
Compound Name: | ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 453.99 |
Molecular Formula: | C21 H28 Cl N3 O4 S |
Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.494 |
logD: | 3.494 |
logSw: | -4.3925 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 58.442 |
InChI Key: | MUAQUNNOBNNCAI-UHFFFAOYSA-N |