[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V025-5277 |
| Compound Name: | [4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 505.04 |
| Molecular Formula: | C27 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1cccc(c1)[Cl])SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.406 |
| logD: | 5.406 |
| logSw: | -5.9289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.271 |
| InChI Key: | HPQGQIXPPXJILV-UHFFFAOYSA-N |