3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C22H21N5O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormula	C22H21N5O2S
Smiles	O=C(C1(CCCCC1)NC1=O)N1/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C22H21N5O2S/c28-20-22(11-5-2-6-12-22)24-21(29)27(20)23-14-16-15-26(17-8-3-1-4-9-17)25-19(16)18-10-7-13-30-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,24,29)
InChIK	UVPBJFRHZRONIZ-UHFFFAOYSA-N
TotalMolweight	419.508
Molweight	419.508
MonoisotopicMass	419.141595
CLogP	3.0933
CLogS	-5.17
H Acceptors	7
H Donors	1
TotalSurfaceArea	310.91
Relative PSA	0.29205
PolarSurfaceArea	107.83
Druglikeness	3.207
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Request More Details | 3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments