2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V016-7005 |
| Compound Name: | 2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C17 H19 F N4 O S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccccc2F)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8571 |
| logD: | 2.8571 |
| logSw: | -3.408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.978 |
| InChI Key: | ZXVHFDDDKJAZOE-UHFFFAOYSA-N |