2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]acetamide
Formula:C26H29N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C26H29N5OS |
| Smiles | O=C(CN(CCC1)c2c1cccc2)N/N=C\c1c(-c2ccccc2)nc(N2CCCCC2)s1 |
| InChI | InChI=1S/C26H29N5OS/c32-24(19-31-17-9-13-20-10-5-6-14-22(20)31)29-27-18-23-25(21-11-3-1-4-12-21)28-26(33-23)30-15-7-2-8-16-30/h1,3-6,10-12,14,18H,2,7-9,13,15-17,19H2,(H,29,32) |
| InChIK | WGBXQEPUHZBPHK-UHFFFAOYSA-N |
| TotalMolweight | 459.616 |
| Molweight | 459.616 |
| MonoisotopicMass | 459.20928 |
| CLogP | 5.513 |
| CLogS | -6.751 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 358.89 |
| Relative PSA | 0.20742 |
| PolarSurfaceArea | 89.07 |
| Druglikeness | 5.4512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]acetamide | 2 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]acetamide
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