[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrol-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrol-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrol-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | G636-2444 |
| Compound Name: | [4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrol-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | Cn1cc(cc1C(N1CCc2ccccc2C1)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9326 |
| logD: | 2.9326 |
| logSw: | -3.2754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.901 |
| InChI Key: | JGDFATVXUGFYAA-UHFFFAOYSA-N |