1-(4-{4-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | F379-1690 |
| Compound Name: | 1-(4-{4-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C25 H34 N4 O4 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1c(C)c(c(C)[nH]1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7311 |
| logD: | 2.7311 |
| logSw: | -3.1788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.997 |
| InChI Key: | UQJBDGIFJGBVQK-UHFFFAOYSA-N |