N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
Formula:C23H21N3O6Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide is not a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C23H21N3O6Cl2S2 |
| Smiles | O=C(c(c(Cl)c1)cc(S(N2CCOCC2)(=O)=O)c1Cl)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C23H21Cl2N3O6S2/c24-17-14-18(25)20(36(32,33)27-8-10-34-11-9-27)13-16(17)21(29)26-6-7-28-22(30)19(35-23(28)31)12-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,26,29) |
| InChIK | YDAUPXMZSDTYOR-UHFFFAOYSA-N |
| TotalMolweight | 570.473 |
| Molweight | 570.473 |
| MonoisotopicMass | 569.024881 |
| CLogP | 2.9309 |
| CLogS | -4.702 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 385.51 |
| Relative PSA | 0.29506 |
| PolarSurfaceArea | 146.77 |
| Druglikeness | 4.6993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
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