N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
Formula:C27H22N4O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C27H22N4O2S |
| Smiles | O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H22N4O2S/c32-26(31-29-17-19-9-5-8-18-7-1-2-10-21(18)19)24(30-27(33)25-13-6-14-34-25)15-20-16-28-23-12-4-3-11-22(20)23/h1-14,16-17,24,28H,15H2,(H,30,33)(H,31,32)/t24-/m1/s1 |
| InChIK | IZPIXNBGKAOSQJ-XMMPIXPASA-N |
| TotalMolweight | 466.564 |
| Molweight | 466.564 |
| MonoisotopicMass | 466.146346 |
| CLogP | 5.1869 |
| CLogS | -7.142 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 356.93 |
| Relative PSA | 0.26577 |
| PolarSurfaceArea | 114.59 |
| Druglikeness | 8.6933 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide | 2 - N-[(2R)-3-(1H-indol-3-yl)-1-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
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