methyl {[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
methyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[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: | L105-0184 |
| Compound Name: | methyl {[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7838 |
| logD: | 3.7838 |
| logSw: | -3.8077 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.045 |
| InChI Key: | HLCQCXBOVLOPNU-UHFFFAOYSA-N |