methyl 5-{[1-cyclopentyl-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-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
methyl 5-{[1-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | V018-1993 |
| Compound Name: | methyl 5-{[1-cyclopentyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C23 H21 F N4 O5 |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(C2CCCC2)C(N3c2cccc(c2)F)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8461 |
| logD: | 2.8461 |
| logSw: | -3.0697 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.877 |
| InChI Key: | MLUFQLZEBXDDMJ-UHFFFAOYSA-N |