N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0013 |
| Compound Name: | N-[4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 423.29 |
| Molecular Formula: | C15 H15 Br N6 O2 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3501 |
| logD: | 3.3454 |
| logSw: | -3.5176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.255 |
| InChI Key: | WNBZNZNDWSMZRN-UHFFFAOYSA-N |