N-[4-(propan-2-yl)phenyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[4-(propan-2-yl)phenyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-[4-(propan-2-yl)phenyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E513-0093 |
| Compound Name: | N-[4-(propan-2-yl)phenyl]-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C21 H22 N4 O S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2789 |
| logD: | 5.2783 |
| logSw: | -5.147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.306 |
| InChI Key: | KXAYUIZZGIOWRS-SFHVURJKSA-N |