N-[2-(3-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | P212-1317 |
| Compound Name: | N-[2-(3-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide |
| Molecular Weight: | 303.79 |
| Molecular Formula: | C16 H18 Cl N3 O |
| Smiles: | CC(C)(C)CC(Nc1cnc(c2cccc(c2)[Cl])nc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4371 |
| logD: | 4.4371 |
| logSw: | -4.4726 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.731 |
| InChI Key: | XZERGOROSJWSQC-UHFFFAOYSA-N |