N-[(2-chloro-4-fluorophenyl)methyl]-2,4-diethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2,4-diethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
N-[(2-chloro-4-fluorophenyl)methyl]-2,4-diethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
Compound characteristics
| Compound ID: | P666-2612 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2,4-diethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C17 H18 Cl F N4 O3 S |
| Smiles: | CCC1=NN(CC)C(c2cc(cn12)S(NCc1ccc(cc1[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1031 |
| logD: | 3.0993 |
| logSw: | -3.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.038 |
| InChI Key: | GYBSPLZTUKPTGQ-UHFFFAOYSA-N |