2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(4-methylpiperidine-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-(4-methylpiperidine-1-sulfonyl)phenyl]acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 5628-0675 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(4-methylpiperidine-1-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C21 H26 N6 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc(cc1)NC(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5778 |
| logD: | 1.577 |
| logSw: | -2.6461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.821 |
| InChI Key: | ZVDUSPVSAZWZHR-UHFFFAOYSA-N |