(4E)-N,1-di(cycloheptyl)-4-(diaminomethylidenehydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide
Formula:C20H32N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-N,1-di(cycloheptyl)-4-(diaminomethylidenehydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (4E)-N,1-di(cycloheptyl)-4-(diaminomethylidenehydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide |
| MolecularFormula | C20H32N6O3 |
| Smiles | NC(N)=N/N=C(\C(C(NC1CCCCCC1)=O)C(N1C2CCCCCC2)=O)/C1=O |
| InChI | InChI=1S/C20H32N6O3/c21-20(22)25-24-16-15(17(27)23-13-9-5-1-2-6-10-13)18(28)26(19(16)29)14-11-7-3-4-8-12-14/h13-15H,1-12H2,(H,23,27)(H4,21,22,25)/t15-/m0/s1 |
| InChIK | RDEOSVVENMRHMV-HNNXBMFYSA-N |
| TotalMolweight | 404.513 |
| Molweight | 404.513 |
| MonoisotopicMass | 404.253589 |
| CLogP | 1.8371 |
| CLogS | -4.474 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 313.61 |
| Relative PSA | 0.34339 |
| PolarSurfaceArea | 143.24 |
| Druglikeness | 0.88887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 15 |
| Symmetricatoms | 7 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-N,1-di(cycloheptyl)-4-(diaminomethylidenehydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide | 2 - (4E)-N,1-di(cycloheptyl)-4-(diaminomethylidenehydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide
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