8-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidine-1-sulfonyl]quinoline
Chemical Structure Depiction of
8-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidine-1-sulfonyl]quinoline
8-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidine-1-sulfonyl]quinoline
Compound characteristics
| Compound ID: | SB32-0703 |
| Compound Name: | 8-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidine-1-sulfonyl]quinoline |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(C2CC2)n[nH]1)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0595 |
| logD: | 2.058 |
| logSw: | -2.4979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.176 |
| InChI Key: | OSAASIOEJYIRNB-JKSUJKDBSA-N |