10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione

Formula:C24H22N4O2ClF3S Mutagenic:none Tumorigenic:high Reproductive Effective:low 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione is not a drug-like molecule.

MolName	10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione
MolecularFormula	C24H22N4O2ClF3S
Smiles	O=C(C1C2C(/C=C/c3ccccc3)N3C1CSC3)N(CCNc(ncc(C(F)(F)F)c1)c1Cl)C2=O
InChI	InChI=1S/C24H22ClF3N4O2S/c25-16-10-15(24(26,27)28)11-30-21(16)29-8-9-31-22(33)19-17(7-6-14-4-2-1-3-5-14)32-13-35-12-18(32)20(19)23(31)34/h1-7,10-11,17-20H,8-9,12-13H2,(H,29,30)
InChIK	WIPJGEKYWVMRKE-UHFFFAOYSA-N
TotalMolweight	522.978
Molweight	522.978
MonoisotopicMass	522.110407
CLogP	3.5106
CLogS	-5.599
H Acceptors	6
H Donors	1
TotalSurfaceArea	352.75
Relative PSA	0.20723
PolarSurfaceArea	90.84
Druglikeness	-1.8349
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	4
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	unknown chirality

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1 - 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione | 2 - 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione

Request More Details | 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione

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