N-[(3-ethoxy-4-methoxyphenyl)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-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0362 |
| Compound Name: | N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C21 H27 N5 O5 S |
| Smiles: | CCOc1cc(CNC(CCSc2nc3C(N(C)C(N(C)c3n2C)=O)=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6429 |
| logD: | 1.6429 |
| logSw: | -2.5615 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.352 |
| InChI Key: | MYTZVQRQVOAHKU-UHFFFAOYSA-N |