1-(2-chloro-9H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-(2-chloro-9H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
1-(2-chloro-9H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | Y043-0205 |
| Compound Name: | 1-(2-chloro-9H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 420.92 |
| Molecular Formula: | C17 H21 Cl N8 O S |
| Smiles: | CC(C)Cc1nnc(NC(C2CCCN(C2)c2c3c(nc(n2)[Cl])[nH]cn3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9275 |
| logD: | 2.6297 |
| logSw: | -3.587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.62 |
| InChI Key: | XQFMKKBFAYBLDE-JTQLQIEISA-N |