methyl 5-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
methyl 5-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | V016-5136 |
| Compound Name: | methyl 5-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 470.91 |
| Molecular Formula: | C23 H23 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(C(=O)OC)o2)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8468 |
| logD: | 3.8468 |
| logSw: | -4.0322 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.239 |
| InChI Key: | MDPPUCGWQKYAIQ-UHFFFAOYSA-N |