4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 8015-4221 |
| Compound Name: | 4-{[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C26 H29 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)OCC)C(=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.396 |
| logD: | 5.396 |
| logSw: | -5.5039 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.154 |
| InChI Key: | IHDYBCHOAMVYLL-UHFFFAOYSA-N |