methyl 5-{[1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
methyl 5-{[1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | V016-7143 |
| Compound Name: | methyl 5-{[1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 474.45 |
| Molecular Formula: | C25 H19 F N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(Cc2ccccc2)C(N3c2cccc(c2)F)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4021 |
| logD: | 3.4021 |
| logSw: | -3.7014 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.29 |
| InChI Key: | QCIXCHJCFDSORH-UHFFFAOYSA-N |