7-methyl-5-nitro-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
7-methyl-5-nitro-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
7-methyl-5-nitro-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | Y500-0168 |
| Compound Name: | 7-methyl-5-nitro-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C12 H7 N3 O4 S2 |
| Smiles: | Cc1cc(cc2\C(=C3/C(NC(=S)S3)=O)C(Nc12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0286 |
| logD: | -2.1044 |
| logSw: | -2.5088 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.273 |
| InChI Key: | ZIBCSELWILQDGM-UHFFFAOYSA-N |