methyl 5-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
methyl 5-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | V023-6424 |
| Compound Name: | methyl 5-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 504.93 |
| Molecular Formula: | C26 H21 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(CCc2ccccc2)C(N3c2ccc(cc2)[Cl])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0755 |
| logD: | 4.0755 |
| logSw: | -4.5047 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.268 |
| InChI Key: | VDRXEBLUKLNFDQ-UHFFFAOYSA-N |