(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile

Formula:C29H19N5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C29H19N5S3
Smiles	N#C/C(/c1nc(CSc2nc(cccc3)c3s2)cs1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C29H19N5S3/c30-16-21(28-31-23(18-35-28)19-36-29-32-25-13-7-8-14-26(25)37-29)15-22-17-34(24-11-5-2-6-12-24)33-27(22)20-9-3-1-4-10-20/h1-15,17-18H,19H2
InChIK	WFJMZSYYBHLTRQ-UHFFFAOYSA-N
TotalMolweight	533.703
Molweight	533.703
MonoisotopicMass	533.080255
CLogP	5.599
CLogS	-7.461
H Acceptors	5
TotalSurfaceArea	401.93
Relative PSA	0.27754
PolarSurfaceArea	149.17
Druglikeness	0.57922
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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1 - (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile | 2 - (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile

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