(4E)-4-(carbamothioylhydrazinylidene)-N,1-di(cycloheptyl)-2,5-dioxopyrrolidine-3-carboxamide
Formula:C20H31N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(carbamothioylhydrazinylidene)-N,1-di(cycloheptyl)-2,5-dioxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (4E)-4-(carbamothioylhydrazinylidene)-N,1-di(cycloheptyl)-2,5-dioxopyrrolidine-3-carboxamide |
| MolecularFormula | C20H31N5O3S |
| Smiles | NC(N/N=C(\C(C(NC1CCCCCC1)=O)C(N1C2CCCCCC2)=O)/C1=O)=S |
| InChI | InChI=1S/C20H31N5O3S/c21-20(29)24-23-16-15(17(26)22-13-9-5-1-2-6-10-13)18(27)25(19(16)28)14-11-7-3-4-8-12-14/h13-15H,1-12H2,(H,22,26)(H3,21,24,29)/t15-/m1/s1 |
| InChIK | OSQBKGCPGRDELG-OAHLLOKOSA-N |
| TotalMolweight | 421.564 |
| Molweight | 421.564 |
| MonoisotopicMass | 421.21476 |
| CLogP | 1.4958 |
| CLogS | -4.382 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 326.29 |
| Relative PSA | 0.3689 |
| PolarSurfaceArea | 148.98 |
| Druglikeness | 1.2577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| 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 | 16 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-(carbamothioylhydrazinylidene)-N,1-di(cycloheptyl)-2,5-dioxopyrrolidine-3-carboxamide | 2 - (4E)-4-(carbamothioylhydrazinylidene)-N,1-di(cycloheptyl)-2,5-dioxopyrrolidine-3-carboxamide
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