N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
Compound ID: | A0070182 |
Compound Name: | N-{[5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
Molecular Weight: | 619.54 |
Molecular Formula: | C29 H27 Br N6 O3 S |
Smiles: | Cn1c(CNC(c2ccccc2)=O)nnc1SCC(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(cc1)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7911 |
logD: | 4.7911 |
logSw: | -4.5856 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.876 |
InChI Key: | SXPJPKHEHYSRLC-RUZDIDTESA-N |