(2S)-phenyl(2-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)acetic acid
Chemical Structure Depiction of
(2S)-phenyl(2-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)acetic acid
(2S)-phenyl(2-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)acetic acid
Compound characteristics
| Compound ID: | Y043-5415 |
| Compound Name: | (2S)-phenyl(2-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)acetic acid |
| Molecular Weight: | 411.36 |
| Molecular Formula: | C16 H12 F3 N5 O3 S |
| Smiles: | C(C(N[C@H](C(O)=O)c1ccccc1)=O)Sc1ccc2nnc(C(F)(F)F)n2n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9621 |
| logD: | -2.9122 |
| logSw: | -1.9854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.99 |
| InChI Key: | ZCLBBSJGTCGKOV-CYBMUJFWSA-N |