2-bromo-6-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
2-bromo-6-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
Compound characteristics
Compound ID: | 3229-1780 |
Compound Name: | 2-bromo-6-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate |
Molecular Weight: | 584.55 |
Molecular Formula: | C28 H26 Br N O4 S2 |
Smiles: | [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Oc1c(cc(/C=C2/C(N(C(=S)S2)c2ccccc2)=O)cc1[Br])OC |
Stereo: | ACHIRAL |
logP: | 7.2078 |
logD: | 7.2078 |
logSw: | -5.7584 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 44.046 |
InChI Key: | PMJJJYHETUCTIG-UHFFFAOYSA-N |