N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-1246 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | CC1=NN(CCCC(NCCc2ccc(cc2)[Cl])=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.916 |
| logD: | 1.9146 |
| logSw: | -2.9866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.139 |
| InChI Key: | OBLBOJQNLDFPSK-UHFFFAOYSA-N |