2-({7-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide
2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | 8015-9684 |
| Compound Name: | 2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C20 H24 Cl N5 O3 S |
| Smiles: | CCN(CC)C(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6262 |
| logD: | 3.6262 |
| logSw: | -3.7608 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.691 |
| InChI Key: | TYELFNOTGGKGJU-UHFFFAOYSA-N |