N-[(4-ethylphenyl)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-[(4-ethylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(4-ethylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
Compound ID: | M107-0372 |
Compound Name: | N-[(4-ethylphenyl)methyl]-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: | CCc1ccc(CNC(CCSc2nc3C(N(C)C(N(C)c3n2C)=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8131 |
logD: | 2.8131 |
logSw: | -3.2386 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.511 |
InChI Key: | SLNRXCFLMTWOOL-UHFFFAOYSA-N |