(5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-phenylethyl)-2-(1-phenylethylimino)-1,3-thiazolidin-4-one
Formula:C28H27N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-phenylethyl)-2-(1-phenylethylimino)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-phenylethyl)-2-(1-phenylethylimino)-1,3-thiazolidin-4-one |
| MolecularFormula | C28H27N3O2S2 |
| Smiles | CC(c1ccccc1)/N=C(/N(CCc1ccccc1)C1=O)\S/C1=C1\Sc(ccc(OC)c2)c2N1C |
| InChI | InChI=1S/C28H27N3O2S2/c1-19(21-12-8-5-9-13-21)29-28-31(17-16-20-10-6-4-7-11-20)26(32)25(35-28)27-30(2)23-18-22(33-3)14-15-24(23)34-27/h4-15,18-19H,16-17H2,1-3H3/t19-/m0/s1 |
| InChIK | OMWVXHZERZQDOP-IBGZPJMESA-N |
| TotalMolweight | 501.673 |
| Molweight | 501.673 |
| MonoisotopicMass | 501.154467 |
| CLogP | 4.8633 |
| CLogS | -6.594 |
| H Acceptors | 5 |
| TotalSurfaceArea | 371.8 |
| Relative PSA | 0.20611 |
| PolarSurfaceArea | 95.74 |
| Druglikeness | 5.8713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-phenylethyl)-2-(1-phenylethylimino)-1,3-thiazolidin-4-one | 2 - (5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-phenylethyl)-2-(1-phenylethylimino)-1,3-thiazolidin-4-one
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