N-[2-(4-methylphenyl)ethyl]-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-(4-methylphenyl)ethyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[2-(4-methylphenyl)ethyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0123 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | Cc1ccc(CCNC(CCSc2nc3C(N(C)C(N(C)c3n2C)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0805 |
| logD: | 2.0805 |
| logSw: | -2.8245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.353 |
| InChI Key: | KUDCPFOLXLPWAK-UHFFFAOYSA-N |