N-(4-bromophenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
N-(4-bromophenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | M916-0146 |
| Compound Name: | N-(4-bromophenyl)-3-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-8-sulfonyl)propanamide |
| Molecular Weight: | 484.33 |
| Molecular Formula: | C17 H18 Br N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)S(CCC(Nc1ccc(cc1)[Br])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6946 |
| logD: | 1.6945 |
| logSw: | -2.5156 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.597 |
| InChI Key: | SAIBUTLKTORNCZ-UHFFFAOYSA-N |