N-[(Z)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonylbenzamide
Formula:C16H17N3O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C16H17N3O5S |
| Smiles | O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H17N3O5S/c20-16(18-17-12-14-2-1-9-24-14)13-3-5-15(6-4-13)25(21,22)19-7-10-23-11-8-19/h1-6,9,12H,7-8,10-11H2,(H,18,20) |
| InChIK | TXTFELNRPXEYGH-UHFFFAOYSA-N |
| TotalMolweight | 363.393 |
| Molweight | 363.393 |
| MonoisotopicMass | 363.088892 |
| CLogP | 1.4331 |
| CLogS | -2.609 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 267.1 |
| Relative PSA | 0.34538 |
| PolarSurfaceArea | 109.59 |
| Druglikeness | 5.7489 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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