methyl 2-{2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4593-5076 |
| Compound Name: | methyl 2-{2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C17 H21 N3 O4 S2 |
| Smiles: | C/N=C1/N(C)C(C(CC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1464 |
| logD: | -0.5168 |
| logSw: | -2.5856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.965 |
| InChI Key: | SRHJLRDICUZYCA-NSHDSACASA-N |