3-[(Z)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C26H18N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is not a drug-like molecule.

MolName	3-[(Z)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C26H18N5O2Br
Smiles	O=C(c([nH]c(cc1)c2cc1Br)c2NC1=O)N1/N=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C26H18BrN5O2/c27-18-10-11-21-20(12-18)23-24(29-21)25(33)32(26(34)30-23)28-13-17-15-31(14-16-6-2-1-3-7-16)22-9-5-4-8-19(17)22/h1-13,15,29H,14H2,(H,30,34)
InChIK	HXGQREQWHLJTNR-UHFFFAOYSA-N
TotalMolweight	512.366
Molweight	512.366
MonoisotopicMass	511.064386
CLogP	4.7713
CLogS	-6.459
H Acceptors	7
H Donors	2
TotalSurfaceArea	341.66
Relative PSA	0.21501
PolarSurfaceArea	82.49
Druglikeness	4.7474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 3-[(Z)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 3-[(Z)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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