N-(4-chloro-2-fluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(4-chloro-2-fluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
Compound ID: | M107-0329 |
Compound Name: | N-(4-chloro-2-fluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
Molecular Weight: | 425.87 |
Molecular Formula: | C17 H17 Cl F N5 O3 S |
Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1ccc(cc1F)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.804 |
logD: | 2.7858 |
logSw: | -3.5921 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.491 |
InChI Key: | PHGAKBJVKJBPNL-UHFFFAOYSA-N |