2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone

Formula:C23H16N5O2ClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone is a drug-like molecule.

MolName	2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone
MolecularFormula	C23H16N5O2ClF2S
Smiles	O=C(CSc1nnc(-c2cnccc2)n1/N=C\c(cc1)ccc1Cl)c(cc1)ccc1OC(F)F
InChI	InChI=1S/C23H16ClF2N5O2S/c24-18-7-3-15(4-8-18)12-28-31-21(17-2-1-11-27-13-17)29-30-23(31)34-14-20(32)16-5-9-19(10-6-16)33-22(25)26/h1-13,22H,14H2
InChIK	XASKVOFETUNBMG-UHFFFAOYSA-N
TotalMolweight	499.928
Molweight	499.928
MonoisotopicMass	499.068128
CLogP	4.4157
CLogS	-9.183
H Acceptors	7
TotalSurfaceArea	362.4
Relative PSA	0.25337
PolarSurfaceArea	107.56
Druglikeness	1.2417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	5
Aromatic Nitrogens	4
StereoCon

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1 - 2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone | 2 - 2-[[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone

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