8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-4769 |
| Compound Name: | 8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 531.08 |
| Molecular Formula: | C24 H31 Cl N8 O2 S |
| Smiles: | CCCCC(CC)Cn1c2C(N(C)C(N(C)c2nc1SCCn1nc(c2ccc(cc2)[Cl])nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3146 |
| logD: | 6.3145 |
| logSw: | -6.2973 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.639 |
| InChI Key: | NGSUPMAKHMBBMQ-INIZCTEOSA-N |