N-[(4-chlorophenyl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-[(4-chlorophenyl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
Compound ID: | 3819-1339 |
Compound Name: | N-[(4-chlorophenyl)methyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
Molecular Weight: | 501 |
Molecular Formula: | C24 H25 Cl N4 O4 S |
Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)[Cl])[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1694 |
logD: | 5.1694 |
logSw: | -5.6089 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.827 |
InChI Key: | DLJIRJSWJYGEMV-UHFFFAOYSA-N |