N-(4-chlorophenyl)-3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanamide
N-(4-chlorophenyl)-3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | M107-0404 |
| Compound Name: | N-(4-chlorophenyl)-3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CCc1ccccc1)c(n2)SCCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.705 |
| logD: | 4.7047 |
| logSw: | -4.8064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.086 |
| InChI Key: | RHGXEGJSYUVHCQ-UHFFFAOYSA-N |