2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | 5941-1221 |
| Compound Name: | 2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N,N-diethylacetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | CCN(CC)C(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7609 |
| logD: | 3.7609 |
| logSw: | -3.6782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.691 |
| InChI Key: | MRZNILUFAHSTGU-UHFFFAOYSA-N |