N-[(2R)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
Formula:C31H24N4O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(2R)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(2R)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C31H24N4O2S |
| Smiles | O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C31H24N4O2S/c36-30(35-33-19-26-23-10-3-1-8-20(23)16-21-9-2-4-11-24(21)26)28(34-31(37)29-14-7-15-38-29)17-22-18-32-27-13-6-5-12-25(22)27/h1-16,18-19,28,32H,17H2,(H,34,37)(H,35,36)/t28-/m1/s1 |
| InChIK | VUPJJBFGBDFOGQ-MUUNZHRXSA-N |
| TotalMolweight | 516.624 |
| Molweight | 516.624 |
| MonoisotopicMass | 516.161996 |
| CLogP | 6.3813 |
| CLogS | -8.748 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 391.53 |
| Relative PSA | 0.24228 |
| PolarSurfaceArea | 114.59 |
| Druglikeness | 8.6933 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2R)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide | 2 - N-[(2R)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
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