(8S)-6-[(Z)-(2-chlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C21H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8S)-6-[(Z)-(2-chlorophenyl)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 | (8S)-6-[(Z)-(2-chlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| MolecularFormula | C21H17N4O2Cl |
| Smiles | O=C(CN1/N=C\c(cccc2)c2Cl)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@@H]3C1=O |
| InChI | InChI=1S/C21H17ClN4O2/c22-16-7-3-1-5-13(16)10-23-26-12-20(27)25-11-18-15(9-19(25)21(26)28)14-6-2-4-8-17(14)24-18/h1-8,10,19,24H,9,11-12H2/t19-/m0/s1 |
| InChIK | SULOCANSGFYJQF-IBGZPJMESA-N |
| TotalMolweight | 392.845 |
| Molweight | 392.845 |
| MonoisotopicMass | 392.104003 |
| CLogP | 2.4205 |
| CLogS | -4.332 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.25 |
| Relative PSA | 0.20938 |
| PolarSurfaceArea | 68.77 |
| Druglikeness | 7.5346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - (8S)-6-[(Z)-(2-chlorophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 2 - (8S)-6-[(Z)-(2-chlorophenyl)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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