2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C16H17N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C16H17N3O3S2 |
| Smiles | O=C(c(cccc1)c1N(CC1)CCS1(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H17N3O3S2/c20-16(18-17-12-13-4-3-9-23-13)14-5-1-2-6-15(14)19-7-10-24(21,22)11-8-19/h1-6,9,12H,7-8,10-11H2,(H,18,20) |
| InChIK | LEVYGSDZTRYMHT-UHFFFAOYSA-N |
| TotalMolweight | 363.461 |
| Molweight | 363.461 |
| MonoisotopicMass | 363.071132 |
| CLogP | 2.0512 |
| CLogS | -3.963 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.35 |
| Relative PSA | 0.33605 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 4.9871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide | 2 - 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
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