N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0276 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C18 H21 Cl N4 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1ccc(cc1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2632 |
| logD: | 1.2674 |
| logSw: | -3.2202 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.534 |
| InChI Key: | PWGQPHOBWKQLLN-UHFFFAOYSA-N |