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C23H16N4O2BrCl | Cheminformatics

N-[(Z)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-6-chloro-4-phenylquinazolin-2-amine

Molecular Formula : C23H16N4O2BrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-6-chloro-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolName : N-[(Z)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-6-chloro-4-phenylquinazolin-2-amine

MolecularFormula : C23H16N4O2BrCl

Smiles : Clc1ccc2nc(N/N=C\c(cc3OCCOc3c3)c3Br)nc(-c3ccccc3)c2c1

InChI : InChI=1S/C23H16BrClN4O2/c24-18-12-21-20(30-8-9-31-21)10-15(18)13-26-29-23-27-19-7-6-16(25)11-17(19)22(28-23)14-4-2-1-3-5-14/h1-7,10-13H,8-9H2,(H,27,28,29)

InChIK : UZGPSEDBPLCYPV-UHFFFAOYSA-N

TotalMolweight : 495.763

Molweight : 495.763

MonoisotopicMass : 494.014514

CLogP : 8.0243

CLogS : -7.447

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 329.19

Relative PSA : 0.19718

PolarSurfaceArea : 68.63

Druglikeness : -6.9975

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.51613

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

Request More Details | N-[(Z)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-6-chloro-4-phenylquinazolin-2-amine


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