2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-({4-[(propan-2-yl)oxy]phenyl}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-[(propan-2-yl)oxy]phenyl}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-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Compound characteristics
| Compound ID: | C785-4005 |
| 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-[(propan-2-yl)oxy]phenyl}methyl)acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCC1=NN(CC(NCc2ccc(cc2)OC(C)C)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2097 |
| logD: | 4.2097 |
| logSw: | -4.1711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.76 |
| InChI Key: | XQQPEAXFPJZOCB-UHFFFAOYSA-N |