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

Formula:C23H23N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-(4-bromobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[8-(4-bromobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H23N2O2BrS
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(c(cc2)ccc2Br)=O)SCC1
InChI	InChI=1S/C23H23BrN2O2S/c24-20-9-7-19(8-10-20)22(28)25-14-12-23(13-15-25)26(16-17-29-23)21(27)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2
InChIK	XMCOQSYDTPNFMM-UHFFFAOYSA-N
TotalMolweight	471.418
Molweight	471.418
MonoisotopicMass	470.066359
CLogP	5.3489
CLogS	-5.407
H Acceptors	4
TotalSurfaceArea	317.71
Relative PSA	0.15949
PolarSurfaceArea	65.92
Druglikeness	1.8389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	2
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-1-[8-(4-bromobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments