N-benzyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C24H27N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is a drug-like molecule.

MolName	N-benzyl-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C24H27N3O2S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(NCc2ccccc2)=O)SCC1
InChI	InChI=1S/C24H27N3O2S/c28-22(12-11-20-7-3-1-4-8-20)27-17-18-30-24(27)13-15-26(16-14-24)23(29)25-19-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,25,29)
InChIK	LLZANHKCYLHLQQ-UHFFFAOYSA-N
TotalMolweight	421.563
Molweight	421.563
MonoisotopicMass	421.182397
CLogP	4.327
CLogS	-4.905
H Acceptors	5
H Donors	1
TotalSurfaceArea	324.3
Relative PSA	0.19158
PolarSurfaceArea	77.95
Druglikeness	4.3482
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	3
StereoCon

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