N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-2840 |
| Compound Name: | N-cyclopentyl-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C17 H25 N7 O2 S |
| Smiles: | CN1C(c2c(nc([nH]2)N2CCN(CC2)C(NC2CCCC2)=S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1192 |
| logD: | 2.1186 |
| logSw: | -2.4657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.574 |
| InChI Key: | YUGSDQBYXGXCMT-UHFFFAOYSA-N |