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

Formula:C23H22N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(3-bromobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-(4-nitrophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(3-bromobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C23H22N3O4BrS
Smiles	[O-][N+](c1ccc(/C=C/C(N(CC2)CCC22SCCN2C(c2cccc(Br)c2)=O)=O)cc1)=O
InChI	InChI=1S/C23H22BrN3O4S/c24-19-3-1-2-18(16-19)22(29)26-14-15-32-23(26)10-12-25(13-11-23)21(28)9-6-17-4-7-20(8-5-17)27(30)31/h1-9,16H,10-15H2
InChIK	PHCVKNMAHAFBEO-UHFFFAOYSA-N
TotalMolweight	516.415
Molweight	516.415
MonoisotopicMass	515.051438
CLogP	4.4273
CLogS	-5.867
H Acceptors	7
TotalSurfaceArea	341.38
Relative PSA	0.23754
PolarSurfaceArea	111.74
Druglikeness	-3.2166
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

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments