1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 5311-0251 |
| Compound Name: | 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(cc1)OC)=O)Sc1nncn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0708 |
| logD: | 4.0708 |
| logSw: | -4.1658 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.896 |
| InChI Key: | DJXSZPYCWABDJM-LJQANCHMSA-N |