N-(2,5-dimethylphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-(2,5-dimethylphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E514-0442 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-[(5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CCC(C(Nc1cc(C)ccc1C)=O)Sc1c2cc3c(cco3)n2c(C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.804 |
| logD: | 3.7986 |
| logSw: | -3.742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.233 |
| InChI Key: | LFXCHLFHBUDCFG-IBGZPJMESA-N |