ethyl 4-({[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]carbamothioyl}amino)benzoate
ethyl 4-({[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]carbamothioyl}amino)benzoate
Compound characteristics
Compound ID: | K788-5552 |
Compound Name: | ethyl 4-({[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]carbamothioyl}amino)benzoate |
Molecular Weight: | 552.78 |
Molecular Formula: | C31 H44 N4 O3 S |
Smiles: | CCCCN1CCCc2cc(CN(CCCN3CCOCC3)C(Nc3ccc(cc3)C(=O)OCC)=S)ccc12 |
Stereo: | ACHIRAL |
logP: | 5.8957 |
logD: | 5.4216 |
logSw: | -5.3656 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.864 |
InChI Key: | COFNHANAIQMHGS-UHFFFAOYSA-N |