2-bromo-6-methoxy-4-{[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-{[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2-bromo-6-methoxy-4-{[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 3229-2545 |
| Compound Name: | 2-bromo-6-methoxy-4-{[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate |
| Molecular Weight: | 629.55 |
| Molecular Formula: | C28 H25 Br N2 O6 S2 |
| Smiles: | COc1cc(\C=C2/C(N(C(=S)S2)c2cccc(c2)[N+]([O-])=O)=O)cc(c1OC(C12CC3CC(CC(C3)C2)C1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.2046 |
| logD: | 7.2046 |
| logSw: | -5.7517 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 77.427 |
| InChI Key: | CVQVFNZXBSPKAX-UHFFFAOYSA-N |