N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

Formula:C25H21N4O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
MolecularFormula	C25H21N4O5BrS
Smiles	COc(cc1)ccc1N1C(SCC(NN=Cc(cc2OC)cc(Br)c2O)=O)=Nc(cccc2)c2C1=O
InChI	InChI=1S/C25H21BrN4O5S/c1-34-17-9-7-16(8-10-17)30-24(33)18-5-3-4-6-20(18)28-25(30)36-14-22(31)29-27-13-15-11-19(26)23(32)21(12-15)35-2/h3-13,32H,14H2,1-2H3,(H,29,31)
InChIK	DZLDOPBZUVTWLX-UHFFFAOYSA-N
TotalMolweight	569.435
Molweight	569.435
MonoisotopicMass	568.041602
CLogP	4.45
CLogS	-6.699
H Acceptors	9
H Donors	2
TotalSurfaceArea	385.02
Relative PSA	0.29791
PolarSurfaceArea	138.12
Druglikeness	3.8761
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide | 2 - N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

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