(azepan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]methanone
(azepan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | G243-1701 |
| Compound Name: | (azepan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0761 |
| logD: | 3.0761 |
| logSw: | -3.2565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.37 |
| InChI Key: | KVWWTNSDTNQKBD-UHFFFAOYSA-N |