N-[4-(azepane-1-sulfonyl)phenyl]-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | C561-1666 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C22 H28 N6 O3 S |
| Smiles: | Cc1c(CCC(Nc2ccc(cc2)S(N2CCCCCC2)(=O)=O)=O)c(C)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2933 |
| logD: | 2.2918 |
| logSw: | -2.9816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.237 |
| InChI Key: | HLCANWOGBCZPLM-UHFFFAOYSA-N |