N-[(2S)-1-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
Formula:C23H19N4O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2S)-1-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(2S)-1-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C23H19N4O2BrS |
| Smiles | O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H19BrN4O2S/c24-17-9-7-15(8-10-17)13-26-28-22(29)20(27-23(30)21-6-3-11-31-21)12-16-14-25-19-5-2-1-4-18(16)19/h1-11,13-14,20,25H,12H2,(H,27,30)(H,28,29)/t20-/m0/s1 |
| InChIK | OHFBWJDDFOHHKS-FQEVSTJZSA-N |
| TotalMolweight | 495.4 |
| Molweight | 495.4 |
| MonoisotopicMass | 494.041207 |
| CLogP | 4.7177 |
| CLogS | -6.37 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 340.96 |
| Relative PSA | 0.27821 |
| PolarSurfaceArea | 114.59 |
| Druglikeness | 6.9033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2S)-1-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide | 2 - N-[(2S)-1-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
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