2-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | K412-0055 |
| Compound Name: | 2-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 572.5 |
| Molecular Formula: | C24 H22 Br N5 O3 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)[Br])=NN1C(CSC1=NN2CCCC(N=C2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9023 |
| logD: | 4.9023 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.811 |
| InChI Key: | VUAVIELAKLJLFW-HXUWFJFHSA-N |