N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-(2-phenoxyethoxy)benzamide
Formula:C29H28N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-(2-phenoxyethoxy)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-(2-phenoxyethoxy)benzamide |
| MolecularFormula | C29H28N4O4S |
| Smiles | O=C(c(cccc1)c1OCCOc1ccccc1)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C29H28N4O4S/c34-28(24-13-7-8-14-25(24)37-20-19-36-23-11-5-2-6-12-23)32-30-21-26-27(22-9-3-1-4-10-22)31-29(38-26)33-15-17-35-18-16-33/h1-14,21H,15-20H2,(H,32,34) |
| InChIK | QYVGDJYHLMYQOZ-UHFFFAOYSA-N |
| TotalMolweight | 528.631 |
| Molweight | 528.631 |
| MonoisotopicMass | 528.183126 |
| CLogP | 5.6833 |
| CLogS | -6.713 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 410.57 |
| Relative PSA | 0.24573 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | -0.71428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-(2-phenoxyethoxy)benzamide | 2 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-(2-phenoxyethoxy)benzamide
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