N-benzyl-6,8-dimethyl-1-oxo-2-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-6,8-dimethyl-1-oxo-2-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-benzyl-6,8-dimethyl-1-oxo-2-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0034 |
| Compound Name: | N-benzyl-6,8-dimethyl-1-oxo-2-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C27 H29 N5 O3 |
| Smiles: | [H]C1=NN(CC(NCCCc2ccccc2)=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5471 |
| logD: | 2.5452 |
| logSw: | -2.7371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.683 |
| InChI Key: | JHQWERVKSPHBDB-UHFFFAOYSA-N |