7-[(3-bromophenyl)methyl]-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1863-0979 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 455.76 |
| Molecular Formula: | C17 H16 Br Cl N4 O2 S |
| Smiles: | C/C(=C\CSc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(c1)[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6452 |
| logD: | 4.6451 |
| logSw: | -4.742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.2 |
| InChI Key: | JHWLVNXUVYLTGT-UHFFFAOYSA-N |