1-(4-bromophenyl)-2-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)ethan-1-one
1-(4-bromophenyl)-2-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8006-2574 |
| Compound Name: | 1-(4-bromophenyl)-2-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 495.19 |
| Molecular Formula: | C18 H13 Br2 N3 O2 S |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)n1c(ncn1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3316 |
| logD: | 4.3316 |
| logSw: | -4.4449 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.77 |
| InChI Key: | HUYHNXVMCAHWGZ-UHFFFAOYSA-N |