(2E,5S)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C21H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5S)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E,5S)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H17N5O4S |
| Smiles | [O-][N+](c1cccc(C[C@@H](C(N2Cc3ccco3)=O)S/C2=N/N=C\c2cnccc2)c1)=O |
| InChI | InChI=1S/C21H17N5O4S/c27-20-19(11-15-4-1-6-17(10-15)26(28)29)31-21(25(20)14-18-7-3-9-30-18)24-23-13-16-5-2-8-22-12-16/h1-10,12-13,19H,11,14H2/t19-/m0/s1 |
| InChIK | VUOJDCNYMSEPHU-IBGZPJMESA-N |
| TotalMolweight | 435.463 |
| Molweight | 435.463 |
| MonoisotopicMass | 435.100125 |
| CLogP | 3.6199 |
| CLogS | -5.15 |
| H Acceptors | 9 |
| TotalSurfaceArea | 324.69 |
| Relative PSA | 0.34679 |
| PolarSurfaceArea | 142.18 |
| Druglikeness | 1.9705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2E,5S)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E,5S)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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