5-chloro-2-(methylsulfanyl)-N-[4-(piperidine-1-sulfonyl)phenyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methylsulfanyl)-N-[4-(piperidine-1-sulfonyl)phenyl]pyrimidine-4-carboxamide
5-chloro-2-(methylsulfanyl)-N-[4-(piperidine-1-sulfonyl)phenyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0164 |
| Compound Name: | 5-chloro-2-(methylsulfanyl)-N-[4-(piperidine-1-sulfonyl)phenyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C17 H19 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4367 |
| logD: | 3.2072 |
| logSw: | -3.7571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.626 |
| InChI Key: | HRKULXIIBLHOJD-UHFFFAOYSA-N |