N-[4-(1,1-dioxo-1lambda~6~,2-thiazolidin-2-yl)phenyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[4-(1,1-dioxo-1lambda~6~,2-thiazolidin-2-yl)phenyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-[4-(1,1-dioxo-1lambda~6~,2-thiazolidin-2-yl)phenyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y043-3403 |
| Compound Name: | N-[4-(1,1-dioxo-1lambda~6~,2-thiazolidin-2-yl)phenyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | C1CN(c2ccc(cc2)NC(CCNc2ncccn2)=O)S(C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0437 |
| logD: | -0.0438 |
| logSw: | -2.3144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.069 |
| InChI Key: | JRERHWIQSWIYTG-UHFFFAOYSA-N |