N-benzyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
Formula:C22H23N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C22H23N3OS |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C22H23N3OS/c1-3-7-19(8-4-1)18-25(20-9-5-2-6-10-20)23-17-21-11-12-22(27-21)24-13-15-26-16-14-24/h1-12,17H,13-16,18H2 |
| InChIK | BMPMKBMBNYGMHX-UHFFFAOYSA-N |
| TotalMolweight | 377.511 |
| Molweight | 377.511 |
| MonoisotopicMass | 377.156182 |
| CLogP | 4.697 |
| CLogS | -4.565 |
| H Acceptors | 4 |
| TotalSurfaceArea | 299.38 |
| Relative PSA | 0.16357 |
| PolarSurfaceArea | 56.31 |
| Druglikeness | 4.9675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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