N-(3-methylbutyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
N-(3-methylbutyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G754-0311 |
| Compound Name: | N-(3-methylbutyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Smiles: | CC(C)CCNC(CSc1nc2C(NC=Nc2n1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4984 |
| logD: | 2.4971 |
| logSw: | -2.8545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.758 |
| InChI Key: | ZRPHOHNZEBTWFK-UHFFFAOYSA-N |