(2S,5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-sulfanylimidazolidin-4-one
Formula:C16H13N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2S,5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-sulfanylimidazolidin-4-one is a drug-like molecule.
| MolName | (2S,5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-sulfanylimidazolidin-4-one |
| MolecularFormula | C16H13N2OBrS |
| Smiles | O=C(/C(/N[C@@H]1S)=C/c(cc2)ccc2Br)N1c1ccccc1 |
| InChI | InChI=1S/C16H13BrN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(21)18-14)13-4-2-1-3-5-13/h1-10,16,18,21H/t16-/m1/s1 |
| InChIK | DIHVTMPCKXRCNE-MRXNPFEDSA-N |
| TotalMolweight | 361.262 |
| Molweight | 361.262 |
| MonoisotopicMass | 359.993194 |
| CLogP | 4.1442 |
| CLogS | -5.273 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.73 |
| Relative PSA | 0.21956 |
| PolarSurfaceArea | 71.14 |
| Druglikeness | -0.9555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S,5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-sulfanylimidazolidin-4-one | 2 - (2S,5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-sulfanylimidazolidin-4-one
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