4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-3492 |
| Compound Name: | 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C22 H29 N7 O3 S |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)C(NCCOC)=S)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7625 |
| logD: | 2.7623 |
| logSw: | -3.1097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.181 |
| InChI Key: | BPGSFQCSINVOPJ-UHFFFAOYSA-N |