N-[(3-bromophenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3-bromophenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-4279 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CCc1cc2c(cc3C(N(CCCC(NCc4cccc(c4)[Br])=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1839 |
| logD: | 3.1817 |
| logSw: | -3.2958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.152 |
| InChI Key: | WLWCHFIOEFXJIJ-UHFFFAOYSA-N |