2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
Chemical Structure Depiction of
2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 2151-0007 |
| Compound Name: | 2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H17 N O4 S2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C2/C(N(C)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7852 |
| logD: | 3.7852 |
| logSw: | -4.1882 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.575 |
| InChI Key: | XVABAFKISUEYAR-UHFFFAOYSA-N |