methyl 4-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate
methyl 4-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate
Compound characteristics
| Compound ID: | K205-1734 |
| Compound Name: | methyl 4-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate |
| Molecular Weight: | 402.38 |
| Molecular Formula: | C18 H14 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)N1C(c2cc3c(cc2[N+]([O-])=O)OCO3)SCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.01 |
| logD: | 3.01 |
| logSw: | -3.5287 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.503 |
| InChI Key: | QFGZRXOEACHSEY-KRWDZBQOSA-N |