methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 3232-1476 |
| Compound Name: | methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C19 H17 N3 O4 S3 |
| Smiles: | COC(c1ccc(/C=C2/C(N(CCCC(Nc3nccs3)=O)C(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8548 |
| logD: | 2.8538 |
| logSw: | -3.4792 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.222 |
| InChI Key: | NFWVPRRYFFDYKK-UHFFFAOYSA-N |