4-chloro-N-[(2R)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
Formula:C25H20N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(2R)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is not a drug-like molecule.
| MolName | 4-chloro-N-[(2R)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide |
| MolecularFormula | C25H20N4O2Cl2 |
| Smiles | O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H20Cl2N4O2/c26-19-9-5-16(6-10-19)14-29-31-25(33)23(30-24(32)17-7-11-20(27)12-8-17)13-18-15-28-22-4-2-1-3-21(18)22/h1-12,14-15,23,28H,13H2,(H,30,32)(H,31,33)/t23-/m1/s1 |
| InChIK | CPDRLVSAFBXIOU-HSZRJFAPSA-N |
| TotalMolweight | 479.366 |
| Molweight | 479.366 |
| MonoisotopicMass | 478.09633 |
| CLogP | 5.3379 |
| CLogS | -6.998 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 357.23 |
| Relative PSA | 0.20855 |
| PolarSurfaceArea | 86.35 |
| Druglikeness | 7.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 4-chloro-N-[(2R)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide | 2 - 4-chloro-N-[(2R)-1-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
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