rel-(6R,9S)-11-(2,3-dihydro-1H-indene-5-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-11-(2,3-dihydro-1H-indene-5-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(2,3-dihydro-1H-indene-5-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-1270 |
| Compound Name: | rel-(6R,9S)-11-(2,3-dihydro-1H-indene-5-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8803 |
| logD: | 1.7938 |
| logSw: | -2.0816 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.945 |
| InChI Key: | VTTLLGGKOOKLSH-UHFFFAOYSA-N |