3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C17H11N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C17H11N4O2F
Smiles	O=C(c([nH]c(cc1)c2cc1F)c2NC1=O)N1/N=C\c1ccccc1
InChI	InChI=1S/C17H11FN4O2/c18-11-6-7-13-12(8-11)14-15(20-13)16(23)22(17(24)21-14)19-9-10-4-2-1-3-5-10/h1-9,20H,(H,21,24)
InChIK	LKJCDOVFTWJGDU-UHFFFAOYSA-N
TotalMolweight	322.298
Molweight	322.298
MonoisotopicMass	322.086604
CLogP	2.6172
CLogS	-4.961
H Acceptors	6
H Donors	2
TotalSurfaceArea	232.06
Relative PSA	0.28695
PolarSurfaceArea	77.56
Druglikeness	3.9427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Request More Details | 3-[(Z)-benzylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments