N-[(Z)-anthracen-9-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Formula:C32H27N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide |
| MolecularFormula | C32H27N3O |
| Smiles | O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C32H27N3O/c36-32(25-15-13-23(14-16-25)21-35-18-17-24-7-1-2-10-28(24)22-35)34-33-20-31-29-11-5-3-8-26(29)19-27-9-4-6-12-30(27)31/h1-16,19-20H,17-18,21-22H2,(H,34,36) |
| InChIK | YYDINKNWXAFEJY-UHFFFAOYSA-N |
| TotalMolweight | 469.586 |
| Molweight | 469.586 |
| MonoisotopicMass | 469.215412 |
| CLogP | 6.7272 |
| CLogS | -8.119 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 367.79 |
| Relative PSA | 0.10756 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.3299 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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