2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Formula:C26H24N4O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C26H24N4O4S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C26H24N4O4S/c31-25(17-35-26-22-7-3-1-5-20(22)21-6-2-4-8-23(21)26)28-27-16-18-15-19(30(32)33)9-10-24(18)29-11-13-34-14-12-29/h1-10,15-16,26H,11-14,17H2,(H,28,31) |
| InChIK | QGCQCRAPHAQLSX-UHFFFAOYSA-N |
| TotalMolweight | 488.567 |
| Molweight | 488.567 |
| MonoisotopicMass | 488.151826 |
| CLogP | 3.4993 |
| CLogS | -8.501 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 362.51 |
| Relative PSA | 0.26888 |
| PolarSurfaceArea | 125.05 |
| Druglikeness | 1.2714 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
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