N-[(Z)-(2-bromophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
Formula:C19H20N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide |
| MolecularFormula | C19H20N3O2Br |
| Smiles | O=C(c1ccc(CN2CCOCC2)cc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C19H20BrN3O2/c20-18-4-2-1-3-17(18)13-21-22-19(24)16-7-5-15(6-8-16)14-23-9-11-25-12-10-23/h1-8,13H,9-12,14H2,(H,22,24) |
| InChIK | GMJFFLIOTOKVGL-UHFFFAOYSA-N |
| TotalMolweight | 402.291 |
| Molweight | 402.291 |
| MonoisotopicMass | 401.073888 |
| CLogP | 3.5187 |
| CLogS | -4.136 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.22 |
| Relative PSA | 0.17623 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 3.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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