10-({4-methyl-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acridin-9(10H)-one
Chemical Structure Depiction of
10-({4-methyl-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acridin-9(10H)-one
10-({4-methyl-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acridin-9(10H)-one
Compound characteristics
| Compound ID: | 8016-9922 |
| Compound Name: | 10-({4-methyl-1-[rel-(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acridin-9(10H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CN1C(CN2c3ccccc3C(c3ccccc23)=O)=NN(C1=S)[C@@H]1CC([C@H]2OC[C@@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9578 |
| logD: | 1.9578 |
| logSw: | -2.862 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.934 |
| InChI Key: | JSQHDPQAJLFPSS-LRXVAGHRSA-N |