N-(3-chloro-4-fluorophenyl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
N-(3-chloro-4-fluorophenyl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Compound characteristics
| Compound ID: | Y031-7084 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide |
| Molecular Weight: | 379.78 |
| Molecular Formula: | C16 H15 Cl F N5 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(Nc2ccc(c(c2)[Cl])F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7454 |
| logD: | 1.7211 |
| logSw: | -2.8081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.088 |
| InChI Key: | PFMHQWSJYDHCCD-UHFFFAOYSA-N |