(E)-N-(4-benzhydrylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
Formula:C22H23N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-benzhydrylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-(4-benzhydrylpiperazin-1-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C22H23N3S |
| Smiles | C(CN(CC1)/N=C/c2cccs2)N1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H23N3S/c1-3-8-19(9-4-1)22(20-10-5-2-6-11-20)24-13-15-25(16-14-24)23-18-21-12-7-17-26-21/h1-12,17-18,22H,13-16H2 |
| InChIK | YUZJKYFZDZVAHH-UHFFFAOYSA-N |
| TotalMolweight | 361.512 |
| Molweight | 361.512 |
| MonoisotopicMass | 361.161267 |
| CLogP | 4.6014 |
| CLogS | -3.926 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.12 |
| Relative PSA | 0.13526 |
| PolarSurfaceArea | 47.08 |
| Druglikeness | 8.0096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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