2-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | K412-0051 |
| Compound Name: | 2-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-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: | 560.47 |
| Molecular Formula: | C23 H19 Br F N5 O2 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(N1C(CC(c3ccc(cc3)[Br])=N1)c1ccc(cc1)F)=O)S2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.949 |
| logD: | 4.949 |
| logSw: | -4.8938 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.267 |
| InChI Key: | OUVRBKQDWVKDRG-LJQANCHMSA-N |