2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 5298-0447 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C19 H22 N6 O5 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccc(cc2)S(N2CCCC2)(=O)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7732 |
| logD: | 0.7724 |
| logSw: | -2.4996 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.187 |
| InChI Key: | KDZNUMNJHWSECS-UHFFFAOYSA-N |