N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-bromophenyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-bromophenyl)-N~2~-methylglycinamide
N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-bromophenyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | F898-1805 |
| Compound Name: | N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-bromophenyl)-N~2~-methylglycinamide |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C20 H25 Br N4 O4 S |
| Smiles: | CN(CC(Nc1cccc(c1)[Br])=O)S(c1cc(C(N2CCCCCC2)=O)[nH]c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3781 |
| logD: | 3.3769 |
| logSw: | -3.7538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.087 |
| InChI Key: | JBGBHEHHMAYYFA-UHFFFAOYSA-N |