5-(azepane-1-sulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
5-(azepane-1-sulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | L586-1035 |
| Compound Name: | 5-(azepane-1-sulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide |
| Molecular Weight: | 467.03 |
| Molecular Formula: | C22 H31 Cl N4 O3 S |
| Smiles: | CCn1c(C)c(CCNC(c2cc(ccc2[Cl])S(N2CCCCCC2)(=O)=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4596 |
| logD: | 3.4589 |
| logSw: | -3.9634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.813 |
| InChI Key: | XSAREMNRFAZUFN-UHFFFAOYSA-N |