(5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C27H18N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C27H18N4O7
Smiles	[O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=C(\C(NC(N3c(cc4)cc5c4OCO5)=O)=O)/C3=O)c2)cc1)=O
InChI	InChI=1S/C27H18N4O7/c32-25-21(26(33)30(27(34)28-25)19-9-10-23-24(12-19)38-15-37-23)11-17-14-29(22-4-2-1-3-20(17)22)13-16-5-7-18(8-6-16)31(35)36/h1-12,14H,13,15H2,(H,28,32,34)
InChIK	BRZGLTYGTPWQLE-UHFFFAOYSA-N
TotalMolweight	510.461
Molweight	510.461
MonoisotopicMass	510.117551
CLogP	2.8749
CLogS	-6.036
H Acceptors	11
H Donors	1
TotalSurfaceArea	360.49
Relative PSA	0.30908
PolarSurfaceArea	135.69
Druglikeness	0.47881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-1-(1,3-benzodioxol-5-yl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments