3-morpholin-4-ylsulfonyl-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide
Formula:C17H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide |
| MolecularFormula | C17H21N3O5S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C17H21N3O5S/c21-15-5-2-4-14(12-15)18-19-17(22)13-3-1-6-16(11-13)26(23,24)20-7-9-25-10-8-20/h1,3,6,11H,2,4-5,7-10,12H2,(H,19,22) |
| InChIK | ZOZKCSDOQBGPFK-UHFFFAOYSA-N |
| TotalMolweight | 379.436 |
| Molweight | 379.436 |
| MonoisotopicMass | 379.120192 |
| CLogP | 1.2867 |
| CLogS | -2.441 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 275.15 |
| Relative PSA | 0.33138 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | -4.7855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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