N-[(3-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-methoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(3-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: | M107-0061 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C19 H23 N5 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9797 |
| logD: | 1.9797 |
| logSw: | -2.5937 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.055 |
| InChI Key: | YYQZIWXWSQYYNP-UHFFFAOYSA-N |