2-[3-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide
Formula:C22H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C22H19N5O4 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2CC(Nc3ccccc3)=O)=O)\NC2=O)c1)=O |
| InChI | InChI=1S/C22H19N5O4/c23-19(28)12-26-11-14(16-8-4-5-9-18(16)26)10-17-21(30)27(22(31)25-17)13-20(29)24-15-6-2-1-3-7-15/h1-11H,12-13H2,(H2,23,28)(H,24,29)(H,25,31) |
| InChIK | QYWKDMZQPNOMHI-UHFFFAOYSA-N |
| TotalMolweight | 417.424 |
| Molweight | 417.424 |
| MonoisotopicMass | 417.143705 |
| CLogP | 0.6677 |
| CLogS | -3.392 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 308.29 |
| Relative PSA | 0.32687 |
| PolarSurfaceArea | 126.53 |
| Druglikeness | 6.6207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide
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