3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole
3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
Compound ID: | 8016-2376 |
Compound Name: | 3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole |
Molecular Weight: | 423.47 |
Molecular Formula: | C18 H13 N7 O2 S2 |
Smiles: | CCCn1c2ccccc2c2c1nc(nn2)Sc1cc(c2c(c1)nsn2)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.7388 |
logD: | 4.7388 |
logSw: | -4.8583 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 86.99 |
InChI Key: | GGTQYSGVQLZPOJ-UHFFFAOYSA-N |