| MolName | (Z)-1-(2-chlorophenyl)-N-[[10-(furan-2-ylmethyl)-11,12-diphenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine |
| MolecularFormula | C32H23N6O2Cl |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4c(-c5ccccc5)c(-c5ccccc5)n3Cc3ccco3)c4n2)cccc1 |
| InChI | InChI=1S/C32H23ClN6O2/c33-26-16-8-7-14-24(26)18-35-41-20-27-36-32-29-28(22-10-3-1-4-11-22)30(23-12-5-2-6-13-23)38(19-25-15-9-17-40-25)31(29)34-21-39(32)37-27/h1-18,21H,19-20H2 |
| InChIK | MSPHFYNGAODEBO-UHFFFAOYSA-N |
| TotalMolweight | 559.028 |
| Molweight | 559.028 |
| MonoisotopicMass | 558.157101 |
| CLogP | 6.5209 |
| CLogS | -9.23 |
| H Acceptors | 8 |
| TotalSurfaceArea | 425.02 |
| Relative PSA | 0.19611 |
| PolarSurfaceArea | 82.74 |
| Druglikeness | 5.374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43902 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 35 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-N-[[10-(furan-2-ylmethyl)-11,12-diphenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine | 2 - (Z)-1-(2-chlorophenyl)-N-[[10-(furan-2-ylmethyl)-11,12-diphenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine