2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | 5471-0065 |
| Compound Name: | 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C22 H24 N6 O S2 |
| Smiles: | CCC(C(Nc1nc2CCCCc2s1)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.498 |
| logD: | 5.3417 |
| logSw: | -5.5493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.534 |
| InChI Key: | KREWDKPLLNUCKN-INIZCTEOSA-N |