N-[(2-ethoxyphenyl)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-ethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(2-ethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0380 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCOc1ccccc1CNC(CCSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4918 |
| logD: | 2.4918 |
| logSw: | -2.7044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.721 |
| InChI Key: | UHTORQBHLANSIE-UHFFFAOYSA-N |