(E)-2-(1H-benzimidazol-2-yl)-3-[2-(dibenzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Formula:C32H24N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[2-(dibenzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[2-(dibenzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C32H24N6O
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\C1=C(N(Cc2ccccc2)Cc2ccccc2)N=C(C=CC=C2)N2C1=O
InChI	InChI=1S/C32H24N6O/c33-20-25(30-34-27-15-7-8-16-28(27)35-30)19-26-31(36-29-17-9-10-18-38(29)32(26)39)37(21-23-11-3-1-4-12-23)22-24-13-5-2-6-14-24/h1-19H,21-22H2,(H,34,35)
InChIK	RCXNDVVJWOCWJN-UHFFFAOYSA-N
TotalMolweight	508.584
Molweight	508.584
MonoisotopicMass	508.201159
CLogP	3.7921
CLogS	-5.722
H Acceptors	7
H Donors	1
TotalSurfaceArea	399.89
Relative PSA	0.17547
PolarSurfaceArea	88.38
Druglikeness	0.45789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.38462
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	9
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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