N-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide

Formula:C20H27N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide is a drug-like molecule.

MolName	N-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide
MolecularFormula	C20H27N3O2S2
Smiles	O=S(/C=C/c1ccccc1)(N(CC1)CCN1C(NC1C(CC2)CC2C1)=S)=O
InChI	InChI=1S/C20H27N3O2S2/c24-27(25,13-8-16-4-2-1-3-5-16)23-11-9-22(10-12-23)20(26)21-19-15-17-6-7-18(19)14-17/h1-5,8,13,17-19H,6-7,9-12,14-15H2,(H,21,26)
InChIK	WLWVYXWRSHEDAQ-UHFFFAOYSA-N
TotalMolweight	405.585
Molweight	405.585
MonoisotopicMass	405.154467
CLogP	2.9792
CLogS	-4.009
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.19
Relative PSA	0.25031
PolarSurfaceArea	93.12
Druglikeness	2.9643
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	3
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	5
Amides	1
StereoCon	unknown chirality

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1 - N-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide | 2 - N-(2-bicyclo[2.2.1]heptanyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide

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