N-tert-butyl-2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-tert-butyl-2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-tert-butyl-2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 3871-0011 |
| Compound Name: | N-tert-butyl-2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C20 H24 Cl N5 O3 S |
| Smiles: | CC(C)(C)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.927 |
| logD: | 3.927 |
| logSw: | -4.1734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.581 |
| InChI Key: | LCUWPOFFJVUPRB-UHFFFAOYSA-N |