N-[(Z)-furan-2-ylmethylideneamino]-4-(phenylsulfanylmethyl)benzamide
Formula:C19H16N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-4-(phenylsulfanylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-(phenylsulfanylmethyl)benzamide |
| MolecularFormula | C19H16N2O2S |
| Smiles | O=C(c1ccc(CSc2ccccc2)cc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H16N2O2S/c22-19(21-20-13-17-5-4-12-23-17)16-10-8-15(9-11-16)14-24-18-6-2-1-3-7-18/h1-13H,14H2,(H,21,22) |
| InChIK | PSASWTKZPWYPKX-UHFFFAOYSA-N |
| TotalMolweight | 336.414 |
| Molweight | 336.414 |
| MonoisotopicMass | 336.093248 |
| CLogP | 4.3517 |
| CLogS | -5.832 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.69 |
| Relative PSA | 0.25257 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 4.5194 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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