4-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)morpholine--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)morpholine--hydrogen bromide (1/1)
4-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)morpholine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3011-0276 |
| Compound Name: | 4-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)morpholine--hydrogen bromide (1/1) |
| Molecular Weight: | 674.57 |
| Molecular Formula: | C28 H24 F N5 O5 S2 |
| Salt: | HBr |
| Smiles: | C1C(c2ccc(cc2)F)N(c2nc(cs2)c2ccc(cc2)S(N2CCOCC2)(=O)=O)N=C1c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3509 |
| logD: | 6.3509 |
| logSw: | -6.4023 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.469 |
| InChI Key: | HRPMXCRUGMYSIL-MHZLTWQESA-N |