N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Compound characteristics
| Compound ID: | 4180-3362 |
| Compound Name: | N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C20 H22 N8 O3 S |
| Smiles: | CCc1ccc(cc1)NC(Cn1c(ncn1)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7668 |
| logD: | 2.7668 |
| logSw: | -3.1499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.554 |
| InChI Key: | NCZHGZFMOSPBNL-UHFFFAOYSA-N |