3-[(2S)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
3-[(2S)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P930-5628 |
| Compound Name: | 3-[(2S)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C20 H19 F N4 O4 S |
| Smiles: | C1C[C@@H](c2nnc(c3ccc(cc3)F)[nH]2)N(C1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8299 |
| logD: | 1.7943 |
| logSw: | -2.6146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.123 |
| InChI Key: | VJNSQJCYMTUSLK-INIZCTEOSA-N |