2-({2-[5-(2,3-dimethoxyphenyl)-3-(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-[5-(2,3-dimethoxyphenyl)-3-(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-[5-(2,3-dimethoxyphenyl)-3-(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: | K412-0056 |
| Compound Name: | 2-({2-[5-(2,3-dimethoxyphenyl)-3-(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: | 553.66 |
| Molecular Formula: | C26 H27 N5 O5 S2 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSC2=NN3CCCC(N=C3S2)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9521 |
| logD: | 3.9521 |
| logSw: | -4.0352 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.159 |
| InChI Key: | DSSBSISVWHTNRE-FQEVSTJZSA-N |