N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
Compound ID: | 6623-1336 |
Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
Molecular Weight: | 465.51 |
Molecular Formula: | C20 H15 N7 O3 S2 |
Smiles: | CCC(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4893 |
logD: | 4.4892 |
logSw: | -4.375 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 108.04 |
InChI Key: | XHLBYWDHTJBWCR-AWEZNQCLSA-N |