4-(2-ethyl-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)butanamide
Chemical Structure Depiction of
4-(2-ethyl-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)butanamide
4-(2-ethyl-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)butanamide
Compound characteristics
| Compound ID: | C785-4285 |
| Compound Name: | 4-(2-ethyl-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)butanamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCc1cc2c(cc3C(N(CCCC(NCc4ccc(cc4)OC(C)C)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0975 |
| logD: | 3.0953 |
| logSw: | -3.3193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.954 |
| InChI Key: | LEMQPZSBYNOYDJ-UHFFFAOYSA-N |