3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | D036-1710 |
| Compound Name: | 3-[(4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C18 H13 N7 O2 S2 |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)Sc1ccc2c(c1[N+]([O-])=O)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 4.6004 |
| logD: | 4.6004 |
| logSw: | -4.4719 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.786 |
| InChI Key: | DFMREJACXNDTRW-UHFFFAOYSA-N |