[(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea
Formula:C17H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea |
| MolecularFormula | C17H16N4OS |
| Smiles | NC(N/N=C(/CC1=O)\C(c2ccccc2)N1c1ccccc1)=S |
| InChI | InChI=1S/C17H16N4OS/c18-17(23)20-19-14-11-15(22)21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10,16H,11H2,(H3,18,20,23)/t16-/m1/s1 |
| InChIK | OYCYPIGOUCFLBI-MRXNPFEDSA-N |
| TotalMolweight | 324.407 |
| Molweight | 324.407 |
| MonoisotopicMass | 324.104481 |
| CLogP | 2.3313 |
| CLogS | -4.024 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.49 |
| Relative PSA | 0.332 |
| PolarSurfaceArea | 102.81 |
| Druglikeness | 3.6819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea | 2 - [(Z)-(5-oxo-1,2-diphenylpyrrolidin-3-ylidene)amino]thiourea
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