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

Formula:C24H14N5O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C24H14N5O2Cl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl
InChI	InChI=1S/C24H14ClN5O2/c25-17-7-1-4-10-20(17)32-23-16(24(31)30-12-6-5-11-21(30)29-23)13-15(14-26)22-27-18-8-2-3-9-19(18)28-22/h1-13H,(H,27,28)
InChIK	IHVOCPBMQYDABK-UHFFFAOYSA-N
TotalMolweight	439.861
Molweight	439.861
MonoisotopicMass	439.083602
CLogP	3.2871
CLogS	-5.639
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.73
Relative PSA	0.23379
PolarSurfaceArea	94.37
Druglikeness	-0.89167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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