methyl 5-({[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | L105-0207 |
| Compound Name: | methyl 5-({[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC(C)CCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2232 |
| logD: | 5.2232 |
| logSw: | -4.9926 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.21 |
| InChI Key: | MPKOUOAOVCCHOT-UHFFFAOYSA-N |