(4Z)-4-(carbamoylhydrazinylidene)-2,5-dioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
Formula:C18H17N7O8S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(carbamoylhydrazinylidene)-2,5-dioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is not a drug-like molecule.
| MolName | (4Z)-4-(carbamoylhydrazinylidene)-2,5-dioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide |
| MolecularFormula | C18H17N7O8S2 |
| Smiles | NC(N/N=C(/C(C(Nc(cc1)ccc1S(N)(=O)=O)=O)C(N1c(cc2)ccc2S(N)(=O)=O)=O)\C1=O)=O |
| InChI | InChI=1S/C18H17N7O8S2/c19-18(29)24-23-14-13(15(26)22-9-1-5-11(6-2-9)34(20,30)31)16(27)25(17(14)28)10-3-7-12(8-4-10)35(21,32)33/h1-8,13H,(H,22,26)(H3,19,24,29)(H2,20,30,31)(H2,21,32,33)/t13-/m0/s1 |
| InChIK | ADUZQXRQTUCRDA-ZDUSSCGKSA-N |
| TotalMolweight | 523.506 |
| Molweight | 523.506 |
| MonoisotopicMass | 523.058003 |
| CLogP | -1.9644 |
| CLogS | -3.76 |
| H Acceptors | 15 |
| H Donors | 5 |
| TotalSurfaceArea | 341.93 |
| Relative PSA | 0.56476 |
| PolarSurfaceArea | 271.04 |
| Druglikeness | 8.7526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 17 |
| Electronegative Atoms | 17 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 5 |
| StereoCon | racemate |
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1 - (4Z)-4-(carbamoylhydrazinylidene)-2,5-dioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide | 2 - (4Z)-4-(carbamoylhydrazinylidene)-2,5-dioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
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