[2-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[2-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-5033 |
| Compound Name: | [2-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | CCn1c(c2ccco2)nnc1SCc1ccccc1C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4689 |
| logD: | 2.3382 |
| logSw: | -2.6857 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.669 |
| InChI Key: | BHRUICDKOMYOGM-UHFFFAOYSA-N |