3-(azepane-1-sulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide
3-(azepane-1-sulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | 8015-1435 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(2-cyano-4,5-diethoxyphenyl)-4-methoxybenzamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Smiles: | CCOc1cc(C#N)c(cc1OCC)NC(c1ccc(c(c1)S(N1CCCCCC1)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1783 |
| logD: | 2.4956 |
| logSw: | -3.531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.781 |
| InChI Key: | PFYBOTWPZGGBGO-UHFFFAOYSA-N |