N-[(3-methoxyphenyl)methyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-0971 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCC(C(NCc1cccc(c1)OC)=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3607 |
| logD: | 3.3607 |
| logSw: | -3.5931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.741 |
| InChI Key: | JEDXJQWEHYIFIV-INIZCTEOSA-N |