N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0199 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C18 H21 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccc(cc1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9326 |
| logD: | 3.7031 |
| logSw: | -4.1742 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.957 |
| InChI Key: | LTSTTZHMIVWZHN-UHFFFAOYSA-N |