N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 3021-0072 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C23 H22 N6 O S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(Nc1ccccc1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8341 |
| logD: | 4.8315 |
| logSw: | -4.6625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.678 |
| InChI Key: | YATXLMDKCMBPEV-IBGZPJMESA-N |