N-butyl-6,8-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
N-butyl-6,8-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-butyl-6,8-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0498 |
| Compound Name: | N-butyl-6,8-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | [H]C1=NN(CC(Nc2cccc(C)c2)=O)C(c2c(C)c(C(NCCCC)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3906 |
| logD: | 2.3905 |
| logSw: | -2.9109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.632 |
| InChI Key: | OGKQXYHFCZLBCN-UHFFFAOYSA-N |