N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5-propyl-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-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3698-0060 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C21 H17 N7 O3 S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8317 |
| logD: | 4.8316 |
| logSw: | -4.8449 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.249 |
| InChI Key: | LYDIGNPJNRUORS-UHFFFAOYSA-N |