N-[(2-methoxyphenyl)methyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-[(2-methoxyphenyl)methyl]-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0139 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-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: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(NCc1ccccc1OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7823 |
| logD: | 0.7823 |
| logSw: | -2.192 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.549 |
| InChI Key: | HODPUDLSAIDSJK-UHFFFAOYSA-N |