N-[(2-methylphenyl)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-methylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[(2-methylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0364 |
| Compound Name: | N-[(2-methylphenyl)methyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | Cc1ccccc1CNC(CCSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7703 |
| logD: | 2.7703 |
| logSw: | -3.0506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.511 |
| InChI Key: | CGRNWGQEJLDJBC-UHFFFAOYSA-N |