N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

Formula:C23H14N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
MolecularFormula	C23H14N5O2ClS
Smiles	Clc(c(/C=N\Nc1ncnc2c1c(-c1ccccc1)cs2)cc1c2)nc1cc1c2OCO1
InChI	InChI=1S/C23H14ClN5O2S/c24-21-15(6-14-7-18-19(31-12-30-18)8-17(14)28-21)9-27-29-22-20-16(13-4-2-1-3-5-13)10-32-23(20)26-11-25-22/h1-11H,12H2,(H,25,26,29)
InChIK	NZFNHJDTRQYTKC-UHFFFAOYSA-N
TotalMolweight	459.916
Molweight	459.916
MonoisotopicMass	459.055672
CLogP	7.4545
CLogS	-8.638
H Acceptors	7
H Donors	1
TotalSurfaceArea	326.1
Relative PSA	0.29512
PolarSurfaceArea	109.76
Druglikeness	2.6117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

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