N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine

Formula:C22H17N6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine is a drug-like molecule.

MolName	N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine
MolecularFormula	C22H17N6Br
Smiles	Brc1cc2c(-c3ccccc3)nc(N/N=C\C3=N[C@H]4C=CC=C[C@H]4N3)nc2cc1
InChI	InChI=1S/C22H17BrN6/c23-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)28-22(27-17)29-24-13-20-25-18-8-4-5-9-19(18)26-20/h1-13,18-19H,(H,25,26)(H,27,28,29)/t18-,19+
InChIK	MRIWSMUGFITXNQ-KDURUIRLSA-N
TotalMolweight	445.323
Molweight	445.323
MonoisotopicMass	444.069805
CLogP	4.809
CLogS	-5.876
H Acceptors	6
H Donors	2
TotalSurfaceArea	305.42
Relative PSA	0.22225
PolarSurfaceArea	74.56
Druglikeness	1.5091
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine | 2 - N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine

Request More Details | N-[(Z)-[(3aS,7aR)-3a,7a-dihydro-1H-benzimidazol-2-yl]methylideneamino]-6-bromo-4-phenylquinazolin-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments