N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C24H19N4OClS3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C24H19N4OClS3 |
| Smiles | O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C24H19ClN4OS3/c25-20(13-17-7-2-1-3-8-17)14-26-27-22(30)16-32-24-29-28-23(33-24)31-15-19-11-6-10-18-9-4-5-12-21(18)19/h1-14H,15-16H2,(H,27,30) |
| InChIK | KHAZEJDVGCIJDN-UHFFFAOYSA-N |
| TotalMolweight | 511.093 |
| Molweight | 511.093 |
| MonoisotopicMass | 510.040948 |
| CLogP | 6.0873 |
| CLogS | -8.929 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 377.44 |
| Relative PSA | 0.30015 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | 5.3805 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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