tert-butyl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
tert-butyl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | L105-0368 |
| Compound Name: | tert-butyl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC(C)(C)OC(CSC1=Nc2c(cn(C)c2C(N1CC=C)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2068 |
| logD: | 4.2068 |
| logSw: | -4.2939 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.735 |
| InChI Key: | FKMTZNKAHRNGEH-UHFFFAOYSA-N |