2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C25H22N4O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H22N4O2S3 |
| Smiles | O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C25H22N4O2S3/c30-23(18-33-25-29-28-24(34-25)32-17-20-10-5-2-6-11-20)27-26-15-21-12-7-13-22(14-21)31-16-19-8-3-1-4-9-19/h1-15H,16-18H2,(H,27,30) |
| InChIK | BYWPXDQLPJSSEV-UHFFFAOYSA-N |
| TotalMolweight | 506.674 |
| Molweight | 506.674 |
| MonoisotopicMass | 506.090486 |
| CLogP | 5.7611 |
| CLogS | -7.681 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 386.23 |
| Relative PSA | 0.31921 |
| PolarSurfaceArea | 155.31 |
| Druglikeness | 4.7826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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