N-[(Z)-[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-4-carboxamide
Formula:C17H12N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C17H12N3O3ClS2 |
| Smiles | O=C(c1cscn1)N/N=C\c(cc1)ccc1S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C17H12ClN3O3S2/c18-13-3-7-15(8-4-13)26(23,24)14-5-1-12(2-6-14)9-20-21-17(22)16-10-25-11-19-16/h1-11H,(H,21,22) |
| InChIK | ALLPEOPJLUTGGV-UHFFFAOYSA-N |
| TotalMolweight | 405.885 |
| Molweight | 405.885 |
| MonoisotopicMass | 405.000859 |
| CLogP | 3.3441 |
| CLogS | -5.01 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.45 |
| Relative PSA | 0.33603 |
| PolarSurfaceArea | 125.11 |
| Druglikeness | 6.2996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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