2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 4482-2822 |
| Compound Name: | 2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl adamantane-1-carboxylate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | COc1cc(\C=C2/C(NC(N2)=S)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4321 |
| logD: | 4.4113 |
| logSw: | -4.5422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.422 |
| InChI Key: | KNVDZKUARCPDPN-UHFFFAOYSA-N |