AC1NSAJP

(E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide

Also Known As: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]prop-2-enamide|3-phenyl-N-[2,2,2-trichloro-1-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonothioyl}amino)ethyl]acrylamide|(2E)-3-Phenyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)prop-2-enamide

Molecular Formula	C23H22Cl3N5O2S
Molecular Weight	537.05597 g/mol
LogP	4.29672
Topological Polar Surface Area	80.09 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	537.05597
Monoisotopic Mass	537.05597
Heavy Atoms	34
Complexity	1251.3502

Chemical Identifiers

CAS Number	5147-98-8
SMILES	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/C3=CC=CC=C3