3-[[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate
Formula:C24H16N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 3-[[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C24H16N2O5Cl |
| Smiles | [O-]C(c1cccc(COc(ccc(/C=C(/C(N2c3ccccc3)=O)\NC2=O)c2)c2Cl)c1)=O |
| InChI | InChI=1S/C24H17ClN2O5/c25-19-12-15(9-10-21(19)32-14-16-5-4-6-17(11-16)23(29)30)13-20-22(28)27(24(31)26-20)18-7-2-1-3-8-18/h1-13H,14H2,(H,26,31)(H,29,30)/p-1 |
| InChIK | BYSFXKVTWFYQEO-UHFFFAOYSA-M |
| TotalMolweight | 447.853 |
| Molweight | 447.853 |
| MonoisotopicMass | 447.074775 |
| CLogP | 1.9796 |
| CLogS | -6.309 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.71 |
| Relative PSA | 0.24074 |
| PolarSurfaceArea | 98.77 |
| Druglikeness | 3.7662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate | 2 - 3-[[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate
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