N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Formula:C24H21N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide |
| MolecularFormula | C24H21N3OClF |
| Smiles | O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C24H21ClFN3O/c25-22-6-3-7-23(26)21(22)14-27-28-24(30)19-10-8-17(9-11-19)15-29-13-12-18-4-1-2-5-20(18)16-29/h1-11,14H,12-13,15-16H2,(H,28,30) |
| InChIK | LPDWDIZBIROCLY-UHFFFAOYSA-N |
| TotalMolweight | 421.902 |
| Molweight | 421.902 |
| MonoisotopicMass | 421.135717 |
| CLogP | 5.0452 |
| CLogS | -5.957 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.36 |
| Relative PSA | 0.12349 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.9947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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