(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Formula:C24H13N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
MolecularFormula	C24H13N4O2FS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1F
InChI	InChI=1S/C24H13FN4O2S/c25-17-7-1-3-9-19(17)31-22-16(24(30)29-12-6-5-11-21(29)28-22)13-15(14-26)23-27-18-8-2-4-10-20(18)32-23/h1-13H
InChIK	MVKCACGMPHVAQP-UHFFFAOYSA-N
TotalMolweight	440.457
Molweight	440.457
MonoisotopicMass	440.074324
CLogP	3.3
CLogS	-5.986
H Acceptors	6
TotalSurfaceArea	325.03
Relative PSA	0.25533
PolarSurfaceArea	106.82
Druglikeness	-1.4759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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	1
BasicNitrogens	1
StereoCon

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1 - (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

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