N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-bromobenzamide
Formula:C18H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-bromobenzamide |
| MolecularFormula | C18H15N4O2Br |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(Br)c2)=O)c1)=O |
| InChI | InChI=1S/C18H15BrN4O2/c19-14-5-3-4-12(8-14)18(25)22-21-9-13-10-23(11-17(20)24)16-7-2-1-6-15(13)16/h1-10H,11H2,(H2,20,24)(H,22,25) |
| InChIK | YWVMWBIMKVHBEA-UHFFFAOYSA-N |
| TotalMolweight | 399.247 |
| Molweight | 399.247 |
| MonoisotopicMass | 398.037837 |
| CLogP | 2.6809 |
| CLogS | -4.299 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 269.45 |
| Relative PSA | 0.2642 |
| PolarSurfaceArea | 89.48 |
| Druglikeness | 5.2758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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