N-[2-(3,4-diethoxyphenyl)ethyl]-4-(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-[2-(3,4-diethoxyphenyl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-2765 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCOc1ccc(CCNC(CCCN2C(c3cc4c(ccs4)n3C(C)=N2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.9538 |
| logD: | 1.9524 |
| logSw: | -2.7105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.106 |
| InChI Key: | CIOZSCKKKLANMV-UHFFFAOYSA-N |