N-[2-(6-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
N-[2-(6-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0320 |
| Compound Name: | N-[2-(6-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 534.45 |
| Molecular Formula: | C21 H20 Br N5 O3 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7354 |
| logD: | 3.7352 |
| logSw: | -4.0447 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.878 |
| InChI Key: | YVESTSNHFXCSHD-UHFFFAOYSA-N |