N-(4-bromophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-9306 |
| Compound Name: | N-(4-bromophenyl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C18 H18 Br N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)SCC(Nc2ccc(cc2)[Br])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7428 |
| logD: | 3.7427 |
| logSw: | -3.8963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.414 |
| InChI Key: | FFSKFJIHKWOBTJ-UHFFFAOYSA-N |