N-(3-acetylphenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(3-acetylphenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 3698-0130 |
| Compound Name: | N-(3-acetylphenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CCC(C(Nc1cccc(c1)C(C)=O)=O)Sc1nc2c(c3ccccc3n2CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4018 |
| logD: | 4.4016 |
| logSw: | -4.3327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.893 |
| InChI Key: | UOYCCCUFTMNQDA-IBGZPJMESA-N |