N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
Compound characteristics
| Compound ID: | Y031-7104 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C17 H18 Cl N5 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(NCc2ccc(cc2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3102 |
| logD: | 1.3102 |
| logSw: | -2.6825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.41 |
| InChI Key: | BTXYYQMWYSDWEM-UHFFFAOYSA-N |