| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate |
| MolecularFormula | C17H11N4O2Cl3S |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(Nc1csc(-c2cccc(Cl)c2Cl)n1)=O |
| InChI | InChI=1S/C17H11Cl3N4O2S/c18-10-6-4-9(5-7-10)15(21)24-26-17(25)23-13-8-27-16(22-13)11-2-1-3-12(19)14(11)20/h1-8H,(H2,21,24)(H,23,25) |
| InChIK | GJUFYJAAFPZRTI-UHFFFAOYSA-N |
| TotalMolweight | 441.725 |
| Molweight | 441.725 |
| MonoisotopicMass | 439.966827 |
| CLogP | 5.8905 |
| CLogS | -7.112 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.44 |
| Relative PSA | 0.3042 |
| PolarSurfaceArea | 117.84 |
| Druglikeness | -3.7067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate