3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 7167-1701 |
| Compound Name: | 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C23 H15 N7 O2 S2 |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)Sc1ccc2c(c1[N+]([O-])=O)nsn2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7926 |
| logD: | 5.7926 |
| logSw: | -6.2442 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.418 |
| InChI Key: | BHAFTSZUJPBTBT-UHFFFAOYSA-N |