N-(2H-1,3-benzodioxol-5-yl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0017 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 449.44 |
| Molecular Formula: | C18 H19 N5 O7 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6938 |
| logD: | 0.6938 |
| logSw: | -2.4032 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.712 |
| InChI Key: | GIGVTVHNJJCZQV-UHFFFAOYSA-N |