N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

Formula:C32H32N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is not a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
MolecularFormula	C32H32N4O5
Smiles	O=C(CN(CN(C1(CC2)CCN2C(/C=C/c2ccccc2)=O)c2ccccc2)C1=O)NCc(cc1)cc2c1OCO2
InChI	InChI=1S/C32H32N4O5/c37-29(33-20-25-11-13-27-28(19-25)41-23-40-27)21-35-22-36(26-9-5-2-6-10-26)32(31(35)39)15-17-34(18-16-32)30(38)14-12-24-7-3-1-4-8-24/h1-14,19H,15-18,20-23H2,(H,33,37)
InChIK	COPATMLVRLKPLG-UHFFFAOYSA-N
TotalMolweight	552.629
Molweight	552.629
MonoisotopicMass	552.237271
CLogP	3.7482
CLogS	-5.351
H Acceptors	9
H Donors	1
TotalSurfaceArea	414.88
Relative PSA	0.19579
PolarSurfaceArea	91.42
Druglikeness	6.9986
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53659
Fragments	1
Non HAtoms	41
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	6
Amides	3
StereoCon

Click to Load Molecule:

1 - N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide | 2 - N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

Request More Details | N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments