2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-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-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-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-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | D294-1587 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C22 H22 N8 O4 S |
| Smiles: | Cc1ccccc1N1CC(CC1=O)c1nnc(NC(Cn2cnc3c2C(N(C)C(N3C)=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4389 |
| logD: | 1.3088 |
| logSw: | -2.4582 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.832 |
| InChI Key: | LWLLANBTBBAOJP-ZDUSSCGKSA-N |