2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(5-oxo-1-phenylpyrrolidin-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-(5-oxo-1-phenylpyrrolidin-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-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | D294-1606 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C21 H20 N8 O4 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(C3CC(N(C3)c3ccccc3)=O)s2)=O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9352 |
| logD: | 0.8051 |
| logSw: | -2.3503 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.133 |
| InChI Key: | QRBLILPCRQMBHT-LBPRGKRZSA-N |