3-(4-chlorophenyl)sulfanyl-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]propanamide
Formula:C22H19N2OClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
3-(4-chlorophenyl)sulfanyl-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfanyl-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]propanamide |
| MolecularFormula | C22H19N2OClS |
| Smiles | O=C(CCSc(cc1)ccc1Cl)N/N=C\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C22H19ClN2OS/c23-18-8-10-19(11-9-18)27-13-12-21(26)25-24-14-17-7-6-16-5-4-15-2-1-3-20(17)22(15)16/h1-3,6-11,14H,4-5,12-13H2,(H,25,26) |
| InChIK | XVENOVQECBSBMM-UHFFFAOYSA-N |
| TotalMolweight | 394.925 |
| Molweight | 394.925 |
| MonoisotopicMass | 394.09066 |
| CLogP | 6.142 |
| CLogS | -7.427 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 296.04 |
| Relative PSA | 0.18072 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 3.4462 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-(4-chlorophenyl)sulfanyl-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]propanamide | 2 - 3-(4-chlorophenyl)sulfanyl-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]propanamide
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