2-bromo-6-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
2-bromo-6-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3229-0825 |
| Compound Name: | 2-bromo-6-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C20 H16 Br N O4 S2 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1c(cc(\C=C2/C(N(C)C(=S)S2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 4.6352 |
| logD: | 4.6352 |
| logSw: | -4.5838 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.661 |
| InChI Key: | XDEYBNBVZALCRN-UHFFFAOYSA-N |