N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0018 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C19 H21 N5 O7 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4741 |
| logD: | 0.4741 |
| logSw: | -2.4265 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.035 |
| InChI Key: | IUZUHMVSDRBDRR-UHFFFAOYSA-N |