N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C26H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is not a drug-like molecule.
| MolName | N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C26H21N3O2 |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C(\CC1)/c2c1cccc2 |
| InChI | InChI=1S/C26H21N3O2/c30-26(29-28-23-15-14-19-5-1-2-8-22(19)23)21-12-10-18(11-13-21)17-31-24-9-3-6-20-7-4-16-27-25(20)24/h1-13,16H,14-15,17H2,(H,29,30) |
| InChIK | AOQXIHKWAYMIJG-UHFFFAOYSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 5.1964 |
| CLogS | -6.447 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.1 |
| Relative PSA | 0.18026 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.0365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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