(Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-phenylmethanimine
Formula:C21H17N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-phenylmethanimine |
| MolecularFormula | C21H17N7O |
| Smiles | C(c1nn(cnc2c3cnn2Cc2ccccc2)c3n1)O/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N7O/c1-3-7-16(8-4-1)11-24-29-14-19-25-21-18-12-23-27(13-17-9-5-2-6-10-17)20(18)22-15-28(21)26-19/h1-12,15H,13-14H2 |
| InChIK | SGMKHCLKOIELSQ-UHFFFAOYSA-N |
| TotalMolweight | 383.414 |
| Molweight | 383.414 |
| MonoisotopicMass | 383.149458 |
| CLogP | 2.5238 |
| CLogS | -5.028 |
| H Acceptors | 8 |
| TotalSurfaceArea | 299.15 |
| Relative PSA | 0.26813 |
| PolarSurfaceArea | 82.49 |
| Druglikeness | 5.2101 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-phenylmethanimine | 2 - (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-phenylmethanimine
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