(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Formula:C23H18N4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C23H18N4S2
Smiles	N#C/C(/c1nc(CCCC2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C23H18N4S2/c24-14-16(23-25-19-9-4-5-10-20(19)29-23)13-17-15-27(18-7-2-1-3-8-18)26-22(17)21-11-6-12-28-21/h1-3,6-8,11-13,15H,4-5,9-10H2
InChIK	XPJWZCOUSULJRH-UHFFFAOYSA-N
TotalMolweight	414.556
Molweight	414.556
MonoisotopicMass	414.097286
CLogP	4.3982
CLogS	-5.319
H Acceptors	4
TotalSurfaceArea	319.1
Relative PSA	0.26039
PolarSurfaceArea	110.98
Druglikeness	-4.6925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

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