5-bromo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C24H21N4O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C24H21N4O4Br
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)c1)N1CCOCC1
InChI	InChI=1S/C24H21BrN4O4/c25-18-5-6-21-16(11-18)12-22(33-21)24(31)27-26-13-17-14-29(20-4-2-1-3-19(17)20)15-23(30)28-7-9-32-10-8-28/h1-6,11-14H,7-10,15H2,(H,27,31)
InChIK	ABIPMPJNTCKSKX-UHFFFAOYSA-N
TotalMolweight	509.359
Molweight	509.359
MonoisotopicMass	508.074617
CLogP	3.7735
CLogS	-5.103
H Acceptors	8
H Donors	1
TotalSurfaceArea	347.06
Relative PSA	0.24082
PolarSurfaceArea	89.07
Druglikeness	4.7178
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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