(5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione

Formula:C19H13N4O3Cl2F3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H13N4O3Cl2F3
Smiles	O=C(/C(/C(N1CCNc(ncc(C(F)(F)F)c2)c2Cl)=O)=C\c(cc2)ccc2Cl)NC1=O
InChI	InChI=1S/C19H13Cl2F3N4O3/c20-12-3-1-10(2-4-12)7-13-16(29)27-18(31)28(17(13)30)6-5-25-15-14(21)8-11(9-26-15)19(22,23)24/h1-4,7-9H,5-6H2,(H,25,26)(H,27,29,31)
InChIK	WSIKCTXNWSPIST-UHFFFAOYSA-N
TotalMolweight	473.237
Molweight	473.237
MonoisotopicMass	472.031679
CLogP	3.213
CLogS	-5.314
H Acceptors	7
H Donors	2
TotalSurfaceArea	317.28
Relative PSA	0.2413
PolarSurfaceArea	91.4
Druglikeness	-0.86455
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-5-[(4-chlorophenyl)methylidene]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments