3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-phenacylideneamino]propanamide
Formula:C21H23N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-phenacylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-phenacylideneamino]propanamide |
| MolecularFormula | C21H23N3O5S |
| Smiles | O=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C21H23N3O5S/c25-20(18-4-2-1-3-5-18)16-22-23-21(26)11-8-17-6-9-19(10-7-17)30(27,28)24-12-14-29-15-13-24/h1-7,9-10,16H,8,11-15H2,(H,23,26) |
| InChIK | JFLXHIKVWLRQKK-UHFFFAOYSA-N |
| TotalMolweight | 429.496 |
| Molweight | 429.496 |
| MonoisotopicMass | 429.135842 |
| CLogP | 1.4958 |
| CLogS | -3.23 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 322.68 |
| Relative PSA | 0.28257 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | 4.956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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