N-cycloheptyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-cycloheptyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-cycloheptyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3817 |
| Compound Name: | N-cycloheptyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | CCC1=NN(CC(NC2CCCCCC2)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2604 |
| logD: | 4.2603 |
| logSw: | -4.1577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.014 |
| InChI Key: | NEGHXEKUNJQCAN-UHFFFAOYSA-N |