(5Z)-2-(4-benzhydrylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:C34H31N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-(4-benzhydrylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-2-(4-benzhydrylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C34H31N3O2S |
| Smiles | O=C1N=C(N(CC2)CCN2C(c2ccccc2)c2ccccc2)S/C1=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C34H31N3O2S/c38-33-31(24-26-16-18-30(19-17-26)39-25-27-10-4-1-5-11-27)40-34(35-33)37-22-20-36(21-23-37)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24,32H,20-23,25H2 |
| InChIK | XGPWDIUPGKOQMV-UHFFFAOYSA-N |
| TotalMolweight | 545.705 |
| Molweight | 545.705 |
| MonoisotopicMass | 545.213697 |
| CLogP | 6.1764 |
| CLogS | -6.336 |
| H Acceptors | 5 |
| TotalSurfaceArea | 420.36 |
| Relative PSA | 0.14069 |
| PolarSurfaceArea | 70.44 |
| Druglikeness | 6.1351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 9 |
| Symmetricatoms | 14 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-2-(4-benzhydrylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-(4-benzhydrylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off