2-amino-8-{[(2-bromophenyl)methyl]sulfanyl}-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
2-amino-8-{[(2-bromophenyl)methyl]sulfanyl}-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one
2-amino-8-{[(2-bromophenyl)methyl]sulfanyl}-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | 7599-1947 |
| Compound Name: | 2-amino-8-{[(2-bromophenyl)methyl]sulfanyl}-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 484.33 |
| Molecular Formula: | C17 H18 Br N5 O5 S |
| Smiles: | C([C@@H]1[C@H]([C@H]([C@H](n2c3c(C(NC(N)=N3)=O)nc2SCc2ccccc2[Br])O1)O)O)O |
| Stereo: | RELATIVE |
| logP: | 1.2889 |
| logD: | 1.2886 |
| logSw: | -2.0411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 125.435 |
| InChI Key: | XOBSYPQOVFJWKI-NYMYIZQJSA-N |