propan-2-yl {[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
propan-2-yl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
propan-2-yl {[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: | L105-0186 |
| Compound Name: | propan-2-yl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(=O)OC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6527 |
| logD: | 4.6527 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.304 |
| InChI Key: | SJLJQBVQSIEKKT-UHFFFAOYSA-N |