(5S,7S)-3-chloro-5-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Formula:C20H13N4OCl4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5S,7S)-3-chloro-5-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is not a drug-like molecule.

MolName	(5S,7S)-3-chloro-5-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
MolecularFormula	C20H13N4OCl4F3
Smiles	O=C(c1nn([C@@H](C[C@@H](c(cc2)ccc2Cl)N2)C(F)(F)F)c2c1Cl)Nc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C20H13Cl4F3N4O/c21-10-3-1-9(2-4-10)14-8-15(20(25,26)27)31-18(28-14)16(24)17(30-31)19(32)29-13-6-5-11(22)7-12(13)23/h1-7,14-15,28H,8H2,(H,29,32)/t14-,15+/m1/s1
InChIK	SBGLAUOXCBATJI-CABCVRRESA-N
TotalMolweight	524.156
Molweight	524.156
MonoisotopicMass	521.979553
CLogP	6.1028
CLogS	-7.318
H Acceptors	5
H Donors	2
TotalSurfaceArea	337.81
Relative PSA	0.15926
PolarSurfaceArea	58.95
Druglikeness	-1.6133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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1 - (5S,7S)-3-chloro-5-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide | 2 - (5S,7S)-3-chloro-5-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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