[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-5002 |
| Compound Name: | [4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccccc2[Cl])nnc1SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5836 |
| logD: | 3.5836 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.576 |
| InChI Key: | NVDLZNFZASTVLX-UHFFFAOYSA-N |