N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y032-3525 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C21 H26 N6 O5 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccc(cc2)S(N2CCCCCC2)(=O)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5997 |
| logD: | 1.5989 |
| logSw: | -2.6892 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.152 |
| InChI Key: | BXSUOFKUAAYKEI-UHFFFAOYSA-N |