ethyl 2-[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Chemical Structure Depiction of
ethyl 2-[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
ethyl 2-[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Compound characteristics
| Compound ID: | V012-7646 |
| Compound Name: | ethyl 2-[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C20 H22 N4 O5 |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC=C)C(N2c1cccc(c1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3172 |
| logD: | 2.3172 |
| logSw: | -2.5976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.505 |
| InChI Key: | DWGLPQINGLJJTD-ZDUSSCGKSA-N |