N-[5-[2-oxo-2-[(2Z)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
Formula:C28H24N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-oxo-2-[(2Z)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[5-[2-oxo-2-[(2Z)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide |
| MolecularFormula | C28H24N6O3S |
| Smiles | O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C28H24N6O3S/c35-25(17-26-32-33-28(38-26)30-27(36)20-9-3-1-4-10-20)31-29-18-21-19-34(24-14-8-7-13-23(21)24)15-16-37-22-11-5-2-6-12-22/h1-14,18-19H,15-17H2,(H,31,35)(H,30,33,36) |
| InChIK | HYDTVKQAKMLGDJ-UHFFFAOYSA-N |
| TotalMolweight | 524.604 |
| Molweight | 524.604 |
| MonoisotopicMass | 524.163059 |
| CLogP | 4.6371 |
| CLogS | -5.548 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 404.26 |
| Relative PSA | 0.29605 |
| PolarSurfaceArea | 138.74 |
| Druglikeness | 8.1958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-oxo-2-[(2Z)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-oxo-2-[(2Z)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
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