N-[(2,3-dimethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(2,3-dimethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0370 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C20 H25 N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(NCc1cccc(c1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0234 |
| logD: | 2.0233 |
| logSw: | -2.5558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.859 |
| InChI Key: | KGJPLSHYTQBABD-UHFFFAOYSA-N |