2-methoxy-6-nitro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
Chemical Structure Depiction of
2-methoxy-6-nitro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
2-methoxy-6-nitro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
Compound characteristics
| Compound ID: | 8006-6795 |
| Compound Name: | 2-methoxy-6-nitro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C13 H10 N2 O6 S2 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(NC(=S)S2)=O)cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0034 |
| logD: | -0.3478 |
| logSw: | -2.4331 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.535 |
| InChI Key: | KQHAMBYKDNOGSC-UHFFFAOYSA-N |