4-(azepan-1-ylsulfonyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C18H21N3O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-(azepan-1-ylsulfonyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(azepan-1-ylsulfonyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C18H21N3O4S |
| Smiles | O=C(c(cc1)ccc1S(N1CCCCCC1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H21N3O4S/c22-18(20-19-14-16-6-5-13-25-16)15-7-9-17(10-8-15)26(23,24)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,22) |
| InChIK | IPRZEGKJODFWIH-UHFFFAOYSA-N |
| TotalMolweight | 375.448 |
| Molweight | 375.448 |
| MonoisotopicMass | 375.125277 |
| CLogP | 2.9391 |
| CLogS | -3.768 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.62 |
| Relative PSA | 0.28898 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 2.225 |
| Mutagenic | high |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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