methyl 2-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
methyl 2-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
Compound characteristics
| Compound ID: | V016-7529 |
| Compound Name: | methyl 2-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate |
| Molecular Weight: | 437.41 |
| Molecular Formula: | C21 H19 N5 O6 |
| Salt: | not_available |
| Smiles: | COC(c1coc(Cn2cnc3c2C(N(CC=C)C(N3c2cccc(c2)OC)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3427 |
| logD: | 1.3427 |
| logSw: | -2.0488 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.648 |
| InChI Key: | ABAQSEWHQLMDBG-UHFFFAOYSA-N |