N~3~-(2-chloro-9H-purin-6-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-chloro-9H-purin-6-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
N~3~-(2-chloro-9H-purin-6-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y043-2175 |
| Compound Name: | N~3~-(2-chloro-9H-purin-6-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C16 H19 Cl N8 O S |
| Smiles: | C1CCC(CC1)c1nnc(NC(CCNc2c3c(nc(n2)[Cl])[nH]cn3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8117 |
| logD: | 2.6862 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.501 |
| InChI Key: | YLAXBPNPQLREQL-UHFFFAOYSA-N |