N-(4-acetylphenyl)-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-acetylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(4-acetylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0032 |
| Compound Name: | N-(4-acetylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | CC(c1ccc(cc1)NC(CCSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7243 |
| logD: | 1.7238 |
| logSw: | -2.3999 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.016 |
| InChI Key: | WKZGVXVBDHVMGL-UHFFFAOYSA-N |