methyl 2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
methyl 2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate
Compound characteristics
| Compound ID: | V030-2071 |
| Compound Name: | methyl 2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate |
| Molecular Weight: | 491.89 |
| Molecular Formula: | C24 H18 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | COC(c1coc(Cn2cnc3c2C(N(Cc2ccccc2)C(N3c2ccc(cc2)[Cl])=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8916 |
| logD: | 2.8916 |
| logSw: | -3.2563 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.854 |
| InChI Key: | DTOOHEJEHWIHCV-UHFFFAOYSA-N |