N-[(4-methylphenyl)methyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-[(4-methylphenyl)methyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E513-0115 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8813 |
| logD: | 3.8807 |
| logSw: | -3.8259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.628 |
| InChI Key: | FRJMMQINJBVTES-KRWDZBQOSA-N |