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