3-[(7-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-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-[(7-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: | 8016-4796 |
| Compound Name: | 3-[(7-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)Sc1cc(c2c(c1)nsn2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4027 |
| logD: | 4.4027 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.087 |
| InChI Key: | QYMZRXFTYFTYHX-UHFFFAOYSA-N |