tert-butyl {[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
tert-butyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
tert-butyl {[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: | L105-0187 |
| Compound Name: | tert-butyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2996 |
| logD: | 5.2996 |
| logSw: | -5.157 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.735 |
| InChI Key: | MOYXACUAEVOJSE-UHFFFAOYSA-N |