2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(4-propoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(4-propoxyphenyl)methyl]acetamide
2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(4-propoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C785-4004 |
| Compound Name: | 2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(4-propoxyphenyl)methyl]acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCCOc1ccc(CNC(CN2C(c3cc4c(cc(CC)s4)n3C(CC)=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5025 |
| logD: | 4.5025 |
| logSw: | -4.2376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.375 |
| InChI Key: | KNSUVNZYXSMGAB-UHFFFAOYSA-N |