4-[(2,4-dioxo-3-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-[(2,4-dioxo-3-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
4-[(2,4-dioxo-3-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 8015-3411 |
| Compound Name: | 4-[(2,4-dioxo-3-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C27 H31 N O7 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(=O)Oc1ccc(/C=C2/C(N(CC(=O)OC(C)C)C(=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.6055 |
| logD: | 5.6055 |
| logSw: | -5.4943 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 77.833 |
| InChI Key: | HLQNBZFYEPXEHO-UHFFFAOYSA-N |