(5Z)-5-benzylidene-3-[7-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one
Formula:C44H29N5O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-benzylidene-3-[7-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-[7-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one |
| MolecularFormula | C44H29N5O2S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C\c2ccccc2)N1c(cc1)cc2c1Nc(ccc(N(C1=O)C(c3ccccc3)=N/C1=C\c1ccccc1)c1)c1S2 |
| InChI | InChI=1S/C44H29N5O2S/c50-43-37(25-29-13-5-1-6-14-29)46-41(31-17-9-3-10-18-31)48(43)33-21-23-35-39(27-33)52-40-28-34(22-24-36(40)45-35)49-42(32-19-11-4-12-20-32)47-38(44(49)51)26-30-15-7-2-8-16-30/h1-28,45H |
| InChIK | GSNXLHLJTKJEIG-UHFFFAOYSA-N |
| TotalMolweight | 691.813 |
| Molweight | 691.813 |
| MonoisotopicMass | 691.204195 |
| CLogP | 8.8542 |
| CLogS | -11.194 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 511.97 |
| Relative PSA | 0.16632 |
| PolarSurfaceArea | 102.67 |
| Druglikeness | 3.5111 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44231 |
| Fragments | 1 |
| Non HAtoms | 52 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 9 |
| Small Rings | 9 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-benzylidene-3-[7-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one | 2 - (5Z)-5-benzylidene-3-[7-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off