N-(2-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(2-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0088 |
| Compound Name: | N-(2-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C18 H21 N5 O5 S |
| Smiles: | Cc1ccccc1NC(CCS(c1nc2C(N(C)C(N(C)c2n1C)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6556 |
| logD: | 0.6556 |
| logSw: | -2.2294 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.899 |
| InChI Key: | ZVMYAROEDXFKAM-UHFFFAOYSA-N |