N-(4-acetylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(4-acetylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0024 |
| Compound Name: | N-(4-acetylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C19 H21 N5 O6 S |
| Smiles: | CC(c1ccc(cc1)NC(CCS(c1nc2C(N(C)C(N(C)c2n1C)=O)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4028 |
| logD: | 0.4026 |
| logSw: | -2.2316 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.424 |
| InChI Key: | HKFNMZKPMANQEX-UHFFFAOYSA-N |