[2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V004-8614 |
| Compound Name: | [2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 372.49 |
| Molecular Formula: | C19 H24 N4 O2 S |
| Smiles: | COCc1nnc(n1CC=C)SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3974 |
| logD: | 2.3974 |
| logSw: | -2.7036 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.905 |
| InChI Key: | NCPPHENMBTVONR-UHFFFAOYSA-N |