(2Z)-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C29H26N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2Z)-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C29H26N4OS
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2C2(CC(C3)C4)CC4CC3C2)n2c1nc1c2cccc1
InChI	InChI=1S/C29H26N4OS/c34-27-25(35-28-30-23-8-4-5-9-24(23)33(27)28)13-21-17-32(22-6-2-1-3-7-22)31-26(21)29-14-18-10-19(15-29)12-20(11-18)16-29/h1-9,13,17-20H,10-12,14-16H2
InChIK	BEDDGWVWXWYPNP-UHFFFAOYSA-N
TotalMolweight	478.618
Molweight	478.618
MonoisotopicMass	478.182731
CLogP	4.8593
CLogS	-6.602
H Acceptors	5
TotalSurfaceArea	339.72
Relative PSA	0.1949
PolarSurfaceArea	78.01
Druglikeness	5.3725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	8
Small Rings	9
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	11
Symmetricatoms	8
Aromatic Nitrogens	4
StereoCon

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