2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C25H20N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H20N3O2ClS2 |
| Smiles | O=C(CSc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C25H20ClN3O2S2/c26-21-11-9-20(10-12-21)23-16-32-25(28-23)33-17-24(30)29-27-14-19-7-4-8-22(13-19)31-15-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,29,30) |
| InChIK | QZPBDIIVKLQBFB-UHFFFAOYSA-N |
| TotalMolweight | 494.038 |
| Molweight | 494.038 |
| MonoisotopicMass | 493.068544 |
| CLogP | 6.4435 |
| CLogS | -7.72 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 371.64 |
| Relative PSA | 0.25517 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 5.4967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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