N-[(3-chloro-4-fluorophenyl)methyl]-4-ethyl-2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethyl-2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethyl-2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
Compound characteristics
| Compound ID: | P666-2415 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-4-ethyl-2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C16 H16 Cl F N4 O3 S |
| Smiles: | CCC1=NN(C)C(c2cc(cn12)S(NCc1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3416 |
| logD: | 2.3385 |
| logSw: | -3.3218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.992 |
| InChI Key: | XHCCIWYTRZJXFY-UHFFFAOYSA-N |