4-({3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-({3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenyl adamantane-1-carboxylate
4-({3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 8015-3409 |
| Compound Name: | 4-({3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 538.06 |
| Molecular Formula: | C29 H28 Cl N O5 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(=O)Oc1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])C(=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 7.559 |
| logD: | 7.559 |
| logSw: | -6.5931 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.724 |
| InChI Key: | PHDBFJDZKBIXGX-UHFFFAOYSA-N |