N-(2-chlorophenyl)-2-[2-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
Formula:C32H24N3O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-(2-chlorophenyl)-2-[2-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[2-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C32H24N3O6Cl |
| Smiles | O=C(COc1c(/C=C(/C(NC(N2c(cc3)ccc3OCc3ccccc3)=O)=O)\C2=O)cccc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C32H24ClN3O6/c33-26-11-5-6-12-27(26)34-29(37)20-42-28-13-7-4-10-22(28)18-25-30(38)35-32(40)36(31(25)39)23-14-16-24(17-15-23)41-19-21-8-2-1-3-9-21/h1-18H,19-20H2,(H,34,37)(H,35,38,40) |
| InChIK | NMJZVQJIMRWWSA-UHFFFAOYSA-N |
| TotalMolweight | 582.011 |
| Molweight | 582.011 |
| MonoisotopicMass | 581.135364 |
| CLogP | 4.8319 |
| CLogS | -7.256 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 430.91 |
| Relative PSA | 0.22889 |
| PolarSurfaceArea | 114.04 |
| Druglikeness | 4.7495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-chlorophenyl)-2-[2-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide | 2 - N-(2-chlorophenyl)-2-[2-[(Z)-[2,4,6-trioxo-1-(4-phenylmethoxyphenyl)-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
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