ethyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | L105-0185 |
| Compound Name: | ethyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCOC(CSC1=Nc2c(cn(C)c2C(N1CCC(C)C)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3749 |
| logD: | 4.3749 |
| logSw: | -4.0184 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.625 |
| InChI Key: | DYIWTZSGQKGNPB-UHFFFAOYSA-N |