| MolName | (5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C25H23N4O4Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(cccc3)c3Cl)=O)\NC2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C25H23ClN4O4/c26-20-7-3-1-5-17(20)15-30-24(32)21(27-25(30)33)13-18-14-29(22-8-4-2-6-19(18)22)16-23(31)28-9-11-34-12-10-28/h1-8,13-14H,9-12,15-16H2,(H,27,33) |
| InChIK | CCEGNFPDQPZYTD-UHFFFAOYSA-N |
| TotalMolweight | 478.935 |
| Molweight | 478.935 |
| MonoisotopicMass | 478.140783 |
| CLogP | 2.4864 |
| CLogS | -3.798 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.82 |
| Relative PSA | 0.21434 |
| PolarSurfaceArea | 83.88 |
| Druglikeness | 5.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione