3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(prop-2-en-1-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8016-4795 |
| Compound Name: | 3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 421.46 |
| Molecular Formula: | C18 H11 N7 O2 S2 |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)Sc1cc(c2c(c1)nsn2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4931 |
| logD: | 4.4931 |
| logSw: | -4.5901 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.99 |
| InChI Key: | CJJHPSMALVVBND-UHFFFAOYSA-N |