methyl 4-{[3-(3-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(3-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[3-(3-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V027-6882 |
| Compound Name: | methyl 4-{[3-(3-fluorophenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C23 H21 F N4 O4 |
| Smiles: | CC(C)N1C(c2c(ncn2Cc2ccc(cc2)C(=O)OC)N(C1=O)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2041 |
| logD: | 3.2041 |
| logSw: | -3.2773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.44 |
| InChI Key: | UOSUVANPSYPEEP-UHFFFAOYSA-N |