(4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
Formula:C22H23N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide |
| MolecularFormula | C22H23N5O3S |
| Smiles | NC(N/N=C(/C(C(NCCc1ccccc1)=O)C(N1CCc2ccccc2)=O)\C1=O)=S |
| InChI | InChI=1S/C22H23N5O3S/c23-22(31)26-25-18-17(19(28)24-13-11-15-7-3-1-4-8-15)20(29)27(21(18)30)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,28)(H3,23,26,31)/t17-/m1/s1 |
| InChIK | OLWWNXZUDMFEQE-QGZVFWFLSA-N |
| TotalMolweight | 437.523 |
| Molweight | 437.523 |
| MonoisotopicMass | 437.15216 |
| CLogP | 1.3968 |
| CLogS | -3.564 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 337.73 |
| Relative PSA | 0.35641 |
| PolarSurfaceArea | 148.98 |
| Druglikeness | 6.7613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide | 2 - (4Z)-4-(carbamothioylhydrazinylidene)-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
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