N-(2-methoxy-5-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-methoxy-5-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(2-methoxy-5-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L150-1143 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C19 H23 N5 O6 S |
| Smiles: | Cc1ccc(c(c1)NC(CCS(c1nc2C(N(C)C(N(C)c2n1C)=O)=O)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.6976 |
| logD: | 0.6976 |
| logSw: | -2.3761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.53 |
| InChI Key: | OKAAOPPGSAOYKD-UHFFFAOYSA-N |