| MolName | (Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C23H19N4ClS |
| Smiles | Clc1cc(C(N2/N=C\c3ncccc3)=CS/C2=N\CCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H19ClN4S/c24-20-10-6-9-19(15-20)22-17-29-23(26-14-12-18-7-2-1-3-8-18)28(22)27-16-21-11-4-5-13-25-21/h1-11,13,15-17H,12,14H2 |
| InChIK | PPJTZDLFRCLUSP-UHFFFAOYSA-N |
| TotalMolweight | 418.951 |
| Molweight | 418.951 |
| MonoisotopicMass | 418.101893 |
| CLogP | 5.5573 |
| CLogS | -5.872 |
| H Acceptors | 4 |
| TotalSurfaceArea | 321.21 |
| Relative PSA | 0.17132 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 4.7225 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(3-chlorophenyl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine