8-(butoxymethyl)-3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Chemical Structure Depiction of
8-(butoxymethyl)-3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
8-(butoxymethyl)-3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Compound characteristics
| Compound ID: | 8009-7223 |
| Compound Name: | 8-(butoxymethyl)-3-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione |
| Molecular Weight: | 507.99 |
| Molecular Formula: | C23 H26 Cl N3 O6 S |
| Smiles: | CCCCOCC1CC2(CC(C)(C(CSc3nnc(c4ccccc4[Cl])[nH]3)=O)OC2=O)C(=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9798 |
| logD: | 1.7881 |
| logSw: | -3.7545 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.265 |
| InChI Key: | KPBXLCZGZGNIOY-UHFFFAOYSA-N |