N-(2-cyano-4,5-diethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-cyano-4,5-diethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
N-(2-cyano-4,5-diethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 8015-1437 |
| Compound Name: | N-(2-cyano-4,5-diethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C29 H31 F N4 O6 S |
| Smiles: | CCOc1cc(C#N)c(cc1OCC)NC(c1ccc(c(c1)S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5545 |
| logD: | 2.8718 |
| logSw: | -3.8226 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.71 |
| InChI Key: | HAULZHTVLGSQDX-UHFFFAOYSA-N |