2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | Y031-6908 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C19 H19 N7 O4 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(Cc3ccc(cc3)OC)s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6048 |
| logD: | 1.5857 |
| logSw: | -2.3917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.422 |
| InChI Key: | NRBMVUNZMHHPHC-UHFFFAOYSA-N |