2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N,N-diethylacetamide
Chemical Structure Depiction of
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N,N-diethylacetamide
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N,N-diethylacetamide
Compound characteristics
| Compound ID: | 8016-0623 |
| Compound Name: | 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N,N-diethylacetamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CCN(CC)C(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0046 |
| logD: | 3.0046 |
| logSw: | -3.0855 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.691 |
| InChI Key: | LHYRFDDIPKWQRQ-UHFFFAOYSA-N |