1-(5-bromothiophen-2-yl)-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(5-bromothiophen-2-yl)-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(5-bromothiophen-2-yl)-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-3829 |
| Compound Name: | 1-(5-bromothiophen-2-yl)-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C16 H13 Br N4 O3 S2 |
| Smiles: | CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCC(c1ccc(s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8285 |
| logD: | 4.8285 |
| logSw: | -4.7201 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.612 |
| InChI Key: | CPPMZBMZGPQLSR-UHFFFAOYSA-N |