(Z)-2-bromo-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine

Formula:C19H13N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-bromo-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine is a drug-like molecule.

MolName	(Z)-2-bromo-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine
MolecularFormula	C19H13N4O2BrS
Smiles	[O-][N+](c(cccc1)c1S/N=C(/c1c(C2)cccc1)\N=C(C=C1)N2C=C1Br)=O
InChI	InChI=1S/C19H13BrN4O2S/c20-14-9-10-18-21-19(15-6-2-1-5-13(15)11-23(18)12-14)22-27-17-8-4-3-7-16(17)24(25)26/h1-10,12H,11H2
InChIK	BERAIAPJFXZBLH-UHFFFAOYSA-N
TotalMolweight	441.308
Molweight	441.308
MonoisotopicMass	439.994257
CLogP	2.136
CLogS	-6.296
H Acceptors	6
TotalSurfaceArea	287.02
Relative PSA	0.25949
PolarSurfaceArea	99.08
Druglikeness	-8.1018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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