N-(2-methoxyphenyl)-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-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(2-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0053 |
| Compound Name: | N-(2-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9353 |
| logD: | 1.9351 |
| logSw: | -2.5598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.122 |
| InChI Key: | FGCLRMLPNWCQFS-UHFFFAOYSA-N |