| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C34H30N4O3S |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C34H30N4O3S/c39-33(28-17-15-25(16-18-28)24-41-30-14-8-7-13-29(30)26-9-3-1-4-10-26)37-35-23-31-32(27-11-5-2-6-12-27)36-34(42-31)38-19-21-40-22-20-38/h1-18,23H,19-22,24H2,(H,37,39) |
| InChIK | LWOHLHGICDLHFE-UHFFFAOYSA-N |
| TotalMolweight | 574.703 |
| Molweight | 574.703 |
| MonoisotopicMass | 574.203861 |
| CLogP | 7.3356 |
| CLogS | -8.872 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 446.57 |
| Relative PSA | 0.20353 |
| PolarSurfaceArea | 104.29 |
| Druglikeness | 6.1657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide | 2 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide