N-[4-(propan-2-yl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-(propan-2-yl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-[4-(propan-2-yl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8514 |
| Compound Name: | N-[4-(propan-2-yl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4208 |
| logD: | 3.4208 |
| logSw: | -3.6891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.189 |
| InChI Key: | CMCZRVMGFZMKQQ-UHFFFAOYSA-N |