4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-methylcyclohexyl)butanamide
Chemical Structure Depiction of
4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-methylcyclohexyl)butanamide
4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-methylcyclohexyl)butanamide
Compound characteristics
| Compound ID: | C785-4423 |
| Compound Name: | 4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-methylcyclohexyl)butanamide |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C23 H32 N4 O2 S |
| Smiles: | CCC1=NN(CCCC(NC2CCC(C)CC2)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5712 |
| logD: | 4.5555 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.661 |
| InChI Key: | ITOPFZAQJQSVKR-UHFFFAOYSA-N |