ethyl [3-(3-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [3-(3-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [3-(3-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
Compound ID: | V024-3467 |
Compound Name: | ethyl [3-(3-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
Molecular Weight: | 372.35 |
Molecular Formula: | C18 H17 F N4 O4 |
Salt: | not_available |
Smiles: | CCOC(Cn1cnc2c1C(N(CC=C)C(N2c1cccc(c1)F)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.4571 |
logD: | 1.4571 |
logSw: | -1.9977 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.955 |
InChI Key: | MYJYKOQAKPIVLB-UHFFFAOYSA-N |