(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
Formula:C27H30N4O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C27H30N4O2S2 |
| Smiles | O=C(/C(/S1)=C/c(o2)ccc2Sc2nc(cccc3)c3[nH]2)N(C2CCCCC2)/C1=N/C1CCCCC1 |
| InChI | InChI=1S/C27H30N4O2S2/c32-25-23(17-20-15-16-24(33-20)35-26-29-21-13-7-8-14-22(21)30-26)34-27(28-18-9-3-1-4-10-18)31(25)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,29,30) |
| InChIK | AGEGKFCOMNBCRC-UHFFFAOYSA-N |
| TotalMolweight | 506.693 |
| Molweight | 506.693 |
| MonoisotopicMass | 506.181016 |
| CLogP | 5.929 |
| CLogS | -7.202 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 378.45 |
| Relative PSA | 0.26992 |
| PolarSurfaceArea | 125.09 |
| Druglikeness | -1.8405 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off