4-(2,4-dichlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,4-dichlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,4-dichlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 4643-0178 |
| Compound Name: | 4-(2,4-dichlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 466.39 |
| Molecular Formula: | C24 H17 Cl2 N3 O S |
| Smiles: | C1C(Nc2c(C(c3ccc(cc3[Cl])[Cl])S1)c(c1ccccc1)nn2c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2973 |
| logD: | 6.2973 |
| logSw: | -6.2059 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.344 |
| InChI Key: | VDRSFSZUBOAWGA-HSZRJFAPSA-N |