N~3~-(2-chloro-9H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-chloro-9H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
N~3~-(2-chloro-9H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y043-2173 |
| Compound Name: | N~3~-(2-chloro-9H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 338.78 |
| Molecular Formula: | C11 H11 Cl N8 O S |
| Smiles: | Cc1nnc(NC(CCNc2c3c(nc(n2)[Cl])[nH]cn3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 0.6687 |
| logD: | 0.5325 |
| logSw: | -2.5943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.386 |
| InChI Key: | GBPVYKQUBDJLNF-UHFFFAOYSA-N |