N-[(4-fluorophenyl)methyl]-6,8-dimethyl-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-6,8-dimethyl-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-[(4-fluorophenyl)methyl]-6,8-dimethyl-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0198 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-6,8-dimethyl-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C25 H24 F N5 O3 S |
| Smiles: | [H]C1=NN(CC(Nc2cccc(c2)SC)=O)C(c2c(C)c(C(NCc3ccc(cc3)F)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7081 |
| logD: | 2.7032 |
| logSw: | -3.1923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.519 |
| InChI Key: | PLIOVRHMZBFEQV-UHFFFAOYSA-N |