N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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]acetamide
N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8006-9781 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C18 H11 N7 O3 S2 |
| Smiles: | C(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3618 |
| logD: | 3.3618 |
| logSw: | -3.7274 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.827 |
| InChI Key: | SIZOTOHXQDHLSZ-UHFFFAOYSA-N |