[4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V031-3222 |
| Compound Name: | [4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C20 H28 N4 O2 S |
| Smiles: | CC(C)c1nnc(n1CCOC)SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5123 |
| logD: | 2.5122 |
| logSw: | -2.48 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.847 |
| InChI Key: | ZVYFPZSMVFWYNC-UHFFFAOYSA-N |