methyl 4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V020-8287 |
| Compound Name: | methyl 4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C23 H19 F N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(CC=C)C(N3c2ccc(cc2)F)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9546 |
| logD: | 2.9546 |
| logSw: | -3.1451 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.698 |
| InChI Key: | ZPPHHZGVTARTLO-UHFFFAOYSA-N |