(E)-1-[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one

Formula:C23H22N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H22N3O4ClS
Smiles	[O-][N+](c(cc1)cc(Cl)c1C(N(CC1)CCC11SCCN1C(/C=C/c1ccccc1)=O)=O)=O
InChI	InChI=1S/C23H22ClN3O4S/c24-20-16-18(27(30)31)7-8-19(20)22(29)25-12-10-23(11-13-25)26(14-15-32-23)21(28)9-6-17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIK	DJZNPWGMQFEDDK-UHFFFAOYSA-N
TotalMolweight	471.964
Molweight	471.964
MonoisotopicMass	471.101954
CLogP	4.3081
CLogS	-5.769
H Acceptors	7
TotalSurfaceArea	338.17
Relative PSA	0.23979
PolarSurfaceArea	111.74
Druglikeness	-1.3838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-1-[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one

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