N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-3324 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C24 H24 N6 O S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4245 |
| logD: | 3.9448 |
| logSw: | -5.6 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.837 |
| InChI Key: | XUXPZYMUXAGUPO-SFHVURJKSA-N |