N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3,5-dibromo-2-hydroxybenzamide
Formula:C18H14N4O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3,5-dibromo-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3,5-dibromo-2-hydroxybenzamide |
| MolecularFormula | C18H14N4O3Br2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2cc(Br)cc(Br)c2O)=O)c1)=O |
| InChI | InChI=1S/C18H14Br2N4O3/c19-11-5-13(17(26)14(20)6-11)18(27)23-22-7-10-8-24(9-16(21)25)15-4-2-1-3-12(10)15/h1-8,26H,9H2,(H2,21,25)(H,23,27) |
| InChIK | WPYBRVCPEMXNNM-UHFFFAOYSA-N |
| TotalMolweight | 494.142 |
| Molweight | 494.142 |
| MonoisotopicMass | 491.943263 |
| CLogP | 3.0604 |
| CLogS | -4.837 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 294.43 |
| Relative PSA | 0.28628 |
| PolarSurfaceArea | 109.71 |
| Druglikeness | 5.2568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3,5-dibromo-2-hydroxybenzamide | 2 - N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3,5-dibromo-2-hydroxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off