methyl 5-{[(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-{[(4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | F410-1245 |
| Compound Name: | methyl 5-{[(4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | COC(c1ccc(CSC2NC(c3c(c(c[nH]3)c3ccccc3)N=2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3975 |
| logD: | 3.3957 |
| logSw: | -3.8423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.01 |
| InChI Key: | ABFOYSIUQUMDIY-UHFFFAOYSA-N |