2-bromo-6-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
2-bromo-6-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 3229-2628 |
| Compound Name: | 2-bromo-6-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H23 Br N2 O4 S |
| Smiles: | COc1cc(\C=C2/C(NC(N2)=S)=O)cc(c1OC(C12CC3CC(CC(C3)C2)C1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1095 |
| logD: | 5.0476 |
| logSw: | -5.1315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.509 |
| InChI Key: | RBWJMUZZPOWKCQ-UHFFFAOYSA-N |