N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 8015-4324 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]-4-methoxybenzamide |
| Molecular Weight: | 538.55 |
| Molecular Formula: | C26 H23 F N4 O6 S |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)c1ccc(cc1)F)(=O)=O)C(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5757 |
| logD: | 2.893 |
| logSw: | -3.8745 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.405 |
| InChI Key: | MTJFBVACFCUQLL-UHFFFAOYSA-N |