(4Z)-N,1-dibenzyl-4-(carbamothioylhydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide
Formula:C20H19N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-N,1-dibenzyl-4-(carbamothioylhydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (4Z)-N,1-dibenzyl-4-(carbamothioylhydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide |
| MolecularFormula | C20H19N5O3S |
| Smiles | NC(N/N=C(/C(C(NCc1ccccc1)=O)C(N1Cc2ccccc2)=O)\C1=O)=S |
| InChI | InChI=1S/C20H19N5O3S/c21-20(29)24-23-16-15(17(26)22-11-13-7-3-1-4-8-13)18(27)25(19(16)28)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,22,26)(H3,21,24,29)/t15-/m1/s1 |
| InChIK | VLORDRBBTHEUIY-OAHLLOKOSA-N |
| TotalMolweight | 409.469 |
| Molweight | 409.469 |
| MonoisotopicMass | 409.12086 |
| CLogP | 0.5366 |
| CLogS | -3.34 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 310.21 |
| Relative PSA | 0.38803 |
| PolarSurfaceArea | 148.98 |
| Druglikeness | 6.703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4Z)-N,1-dibenzyl-4-(carbamothioylhydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide | 2 - (4Z)-N,1-dibenzyl-4-(carbamothioylhydrazinylidene)-2,5-dioxopyrrolidine-3-carboxamide
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