1-(azepan-1-yl)-2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxyethanone
Formula:C29H32N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(azepan-1-yl)-2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxyethanone is not a drug-like molecule.
| MolName | 1-(azepan-1-yl)-2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxyethanone |
| MolecularFormula | C29H32N2O4 |
| Smiles | O=C(CO/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1)N1CCCCCC1 |
| InChI | InChI=1S/C29H32N2O4/c32-29(31-17-9-1-2-10-18-31)23-35-30-20-26-15-16-27(33-21-24-11-5-3-6-12-24)28(19-26)34-22-25-13-7-4-8-14-25/h3-8,11-16,19-20H,1-2,9-10,17-18,21-23H2 |
| InChIK | QSJPNNZVIQWUOL-UHFFFAOYSA-N |
| TotalMolweight | 472.583 |
| Molweight | 472.583 |
| MonoisotopicMass | 472.236208 |
| CLogP | 5.939 |
| CLogS | -5.632 |
| H Acceptors | 6 |
| TotalSurfaceArea | 385.93 |
| Relative PSA | 0.15055 |
| PolarSurfaceArea | 60.36 |
| Druglikeness | -0.072236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 1-(azepan-1-yl)-2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxyethanone | 2 - 1-(azepan-1-yl)-2-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]oxyethanone
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