3-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
3-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8016-5987 |
| Compound Name: | 3-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C24 H19 N7 O S |
| Smiles: | CCOc1ccc(CSc2nc3c(c4ccccc4[nH]3)nn2)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8567 |
| logD: | 4.8567 |
| logSw: | -4.822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.478 |
| InChI Key: | SLCJILMSGSFLFT-UHFFFAOYSA-N |