N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

Formula:C28H31N3O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is not a drug-like molecule.

MolName	N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
MolecularFormula	C28H31N3O2S
Smiles	CC(c1cccc2ccccc12)NC(N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O)=O
InChI	InChI=1S/C28H31N3O2S/c1-21(24-8-4-6-23-5-2-3-7-25(23)24)29-27(33)31-17-14-28(20-31)12-15-30(16-13-28)26(32)10-9-22-11-18-34-19-22/h2-11,18-19,21H,12-17,20H2,1H3,(H,29,33)/t21-/m0/s1
InChIK	XLOJOTVZSGGAOR-NRFANRHFSA-N
TotalMolweight	473.639
Molweight	473.639
MonoisotopicMass	473.213697
CLogP	5.2334
CLogS	-5.522
H Acceptors	5
H Donors	1
TotalSurfaceArea	362.11
Relative PSA	0.1795
PolarSurfaceArea	80.89
Druglikeness	6.3829
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	2
Amides	3
StereoCon	racemate

Click to Load Molecule:

1 - N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide | 2 - N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

Request More Details | N-(1-naphthalen-1-ylethyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments