N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C23H18N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C23H18N2O3S |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H18N2O3S/c26-22(25-24-12-15-9-10-20-21(11-15)28-14-27-20)13-29-23-18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1-12,23H,13-14H2,(H,25,26) |
| InChIK | DYVIEGRUOJKFNO-UHFFFAOYSA-N |
| TotalMolweight | 402.473 |
| Molweight | 402.473 |
| MonoisotopicMass | 402.103813 |
| CLogP | 4.8633 |
| CLogS | -8.649 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.26 |
| Relative PSA | 0.24726 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 5.657 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
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