(8R)-6-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C21H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8R)-6-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
| MolName | (8R)-6-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| MolecularFormula | C21H16N4O2Cl2 |
| Smiles | O=C(CN1/N=C\c(ccc(Cl)c2)c2Cl)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@H]3C1=O |
| InChI | InChI=1S/C21H16Cl2N4O2/c22-13-6-5-12(16(23)7-13)9-24-27-11-20(28)26-10-18-15(8-19(26)21(27)29)14-3-1-2-4-17(14)25-18/h1-7,9,19,25H,8,10-11H2/t19-/m1/s1 |
| InChIK | ZXUUIVBTYSZKBG-LJQANCHMSA-N |
| TotalMolweight | 427.29 |
| Molweight | 427.29 |
| MonoisotopicMass | 426.06503 |
| CLogP | 3.0265 |
| CLogS | -5.068 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.67 |
| Relative PSA | 0.19846 |
| PolarSurfaceArea | 68.77 |
| Druglikeness | 7.5346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (8R)-6-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 2 - (8R)-6-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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