methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
Formula:C25H12N3O4Cl5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate is not a drug-like molecule.
| MolName | methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate |
| MolecularFormula | C25H12N3O4Cl5 |
| Smiles | COC(c1c(/C=C/c(c2c3c(-c(c(Cl)ccc4)c4Cl)no2)cnc3Cl)onc1-c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C25H12Cl5N3O4/c1-35-25(34)19-16(36-32-21(19)17-12(26)4-2-5-13(17)27)9-8-11-10-31-24(30)20-22(33-37-23(11)20)18-14(28)6-3-7-15(18)29/h2-10H,1H3 |
| InChIK | UIRPCJCCGLCZKK-UHFFFAOYSA-N |
| TotalMolweight | 595.652 |
| Molweight | 595.652 |
| MonoisotopicMass | 592.927042 |
| CLogP | 7.598 |
| CLogS | -9.816 |
| H Acceptors | 7 |
| TotalSurfaceArea | 406.41 |
| Relative PSA | 0.20711 |
| PolarSurfaceArea | 91.25 |
| Druglikeness | -0.36175 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate | 2 - methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
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