(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C23H16N5O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H16N5O2F3S
Smiles	N=C(/C1=C/c2cn(CCOc3ccccc3)c3c2cccc3)N2N=C(C(F)(F)F)SC2=NC1=O
InChI	InChI=1S/C23H16F3N5O2S/c24-23(25,26)21-29-31-19(27)17(20(32)28-22(31)34-21)12-14-13-30(18-9-5-4-8-16(14)18)10-11-33-15-6-2-1-3-7-15/h1-9,12-13,27H,10-11H2
InChIK	LOOFMHRXPIKIMP-UHFFFAOYSA-N
TotalMolweight	483.473
Molweight	483.473
MonoisotopicMass	483.097679
CLogP	2.4914
CLogS	-3.719
H Acceptors	7
H Donors	1
TotalSurfaceArea	333.3
Relative PSA	0.26874
PolarSurfaceArea	108.34
Druglikeness	-5.2226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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