N-[(Z)-(2-bromophenyl)methylideneamino]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

Formula:C22H21N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-bromophenyl)methylideneamino]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2-bromophenyl)methylideneamino]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
MolecularFormula	C22H21N4OBr
Smiles	O=C(c1c(CCCCC2)n2c(-c2ccccc2)n1)N/N=C\c(cccc1)c1Br
InChI	InChI=1S/C22H21BrN4O/c23-18-12-7-6-11-17(18)15-24-26-22(28)20-19-13-5-2-8-14-27(19)21(25-20)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,26,28)
InChIK	DHZWYHUGLWRKFB-UHFFFAOYSA-N
TotalMolweight	437.34
Molweight	437.34
MonoisotopicMass	436.089872
CLogP	5.868
CLogS	-6.09
H Acceptors	5
H Donors	1
TotalSurfaceArea	308.64
Relative PSA	0.17448
PolarSurfaceArea	59.28
Druglikeness	0.10874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-(2-bromophenyl)methylideneamino]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

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