4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]benzamide
Formula:C29H23N4O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]benzamide is not a drug-like molecule.
| MolName | 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]benzamide |
| MolecularFormula | C29H23N4O2Cl |
| Smiles | O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Cl)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C29H23ClN4O2/c30-23-14-12-20(13-15-23)28(35)33-27(16-22-17-31-26-11-4-3-10-25(22)26)29(36)34-32-18-21-8-5-7-19-6-1-2-9-24(19)21/h1-15,17-18,27,31H,16H2,(H,33,35)(H,34,36)/t27-/m0/s1 |
| InChIK | BXMIDZRZQZDWMN-MHZLTWQESA-N |
| TotalMolweight | 494.981 |
| Molweight | 494.981 |
| MonoisotopicMass | 494.150953 |
| CLogP | 5.9263 |
| CLogS | -7.868 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 376.41 |
| Relative PSA | 0.19792 |
| PolarSurfaceArea | 86.35 |
| Druglikeness | 7.2605 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]benzamide | 2 - 4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]benzamide
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