3-benzyl-7-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-benzyl-7-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-benzyl-7-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0140 |
| Compound Name: | 3-benzyl-7-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C21 H17 N5 O2 S2 |
| Smiles: | C1CN(C(CSC2=NN3C(=NN=C(Cc4ccccc4)C3=O)S2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.106 |
| logD: | 4.0955 |
| logSw: | -4.2998 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.571 |
| InChI Key: | NVQKKMZZBMSJHX-UHFFFAOYSA-N |