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

Formula:C29H29N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(1-benzylindol-3-yl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[(1-benzylindol-3-yl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C29H29N5OS
Smiles	N=C(/C1=C/c2cn(Cc3ccccc3)c3c2cccc3)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C29H29N5OS/c30-27-24(28(35)31-29-34(27)32-26(36-29)16-15-20-9-3-1-4-10-20)17-22-19-33(18-21-11-5-2-6-12-21)25-14-8-7-13-23(22)25/h2,5-8,11-14,17,19-20,30H,1,3-4,9-10,15-16,18H2
InChIK	FIAIQKYSFUSAHI-UHFFFAOYSA-N
TotalMolweight	495.649
Molweight	495.649
MonoisotopicMass	495.20928
CLogP	4.3428
CLogS	-4.68
H Acceptors	6
H Donors	1
TotalSurfaceArea	375.4
Relative PSA	0.21196
PolarSurfaceArea	99.11
Druglikeness	1.3967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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

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