ethyl 4-[({2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
ethyl 4-[({2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
Compound ID: | C270-0187 |
Compound Name: | ethyl 4-[({2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate |
Molecular Weight: | 440.61 |
Molecular Formula: | C24 H32 N4 O2 S |
Smiles: | CCOC(c1ccc(cc1)NC(NCCN1CCN(CC1)c1cccc(C)c1C)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.8629 |
logD: | 3.103 |
logSw: | -4.334 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 47.92 |
InChI Key: | CDLMADRQZOEKKH-UHFFFAOYSA-N |