N~3~-(2-chloro-9H-purin-6-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-chloro-9H-purin-6-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
N~3~-(2-chloro-9H-purin-6-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | Y043-2176 |
| Compound Name: | N~3~-(2-chloro-9H-purin-6-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C18 H17 Cl N8 O S |
| Smiles: | C(CNc1c2c(nc(n1)[Cl])[nH]cn2)C(Nc1nnc(CCc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9846 |
| logD: | 2.8591 |
| logSw: | -3.5952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.804 |
| InChI Key: | HBJDQLDDNVIICE-UHFFFAOYSA-N |