N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide
Formula:C23H22N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide |
| MolecularFormula | C23H22N4O6S |
| Smiles | [O-][N+](c(cc1)cc(C(NCCN(C(/C(/S2)=C/c3ccccc3)=O)C2=O)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C23H22N4O6S/c28-21(18-15-17(27(31)32)6-7-19(18)25-10-12-33-13-11-25)24-8-9-26-22(29)20(34-23(26)30)14-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,24,28) |
| InChIK | FVTSTHRUGHRLPF-UHFFFAOYSA-N |
| TotalMolweight | 482.516 |
| Molweight | 482.516 |
| MonoisotopicMass | 482.126006 |
| CLogP | 1.4235 |
| CLogS | -4.587 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 349.76 |
| Relative PSA | 0.33048 |
| PolarSurfaceArea | 150.07 |
| Druglikeness | 0.061452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-morpholin-4-yl-5-nitrobenzamide
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