N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
Formula:C19H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide |
| MolecularFormula | C19H15N3O3S |
| Smiles | O=C(CSc1cccc2cccnc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H15N3O3S/c23-18(11-26-17-5-1-3-14-4-2-8-20-19(14)17)22-21-10-13-6-7-15-16(9-13)25-12-24-15/h1-10H,11-12H2,(H,22,23) |
| InChIK | ICWYINWVCCKYSI-UHFFFAOYSA-N |
| TotalMolweight | 365.412 |
| Molweight | 365.412 |
| MonoisotopicMass | 365.083412 |
| CLogP | 3.8418 |
| CLogS | -5.68 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.86 |
| Relative PSA | 0.31071 |
| PolarSurfaceArea | 98.11 |
| Druglikeness | 4.6308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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