(2Z)-2-[(1R*,2R*,5S*)-2-{4-methyl-3-[(9-oxoacridin-10(9H)-yl)methyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2Z)-2-[(1R*,2R*,5S*)-2-{4-methyl-3-[(9-oxoacridin-10(9H)-yl)methyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydrazine-1-carbothioamide
(2Z)-2-[(1R*,2R*,5S*)-2-{4-methyl-3-[(9-oxoacridin-10(9H)-yl)methyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8017-1106 |
| Compound Name: | (2Z)-2-[(1R*,2R*,5S*)-2-{4-methyl-3-[(9-oxoacridin-10(9H)-yl)methyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C24 H23 N7 O3 S2 |
| Smiles: | CN1C(CN2c3ccccc3C(c3ccccc23)=O)=NN(C1=S)[C@@H]1C/C([C@H]2OC[C@@H]1O2)=N/NC(N)=S |
| Stereo: | RELATIVE |
| logP: | 2.3495 |
| logD: | 2.3494 |
| logSw: | -3.1057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.796 |
| InChI Key: | UAIBFOYGYOEOSD-AMONJCEXSA-N |