1-(2-chlorophenyl)-4-(3-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-4-(3-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-(3-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0292 |
| Compound Name: | 1-(2-chlorophenyl)-4-(3-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C19 H15 Cl F N3 O S |
| Smiles: | Cc1c2C(c3cccc(c3)F)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2364 |
| logD: | 4.2359 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.121 |
| InChI Key: | MDRQHYGFUUGVHL-GOSISDBHSA-N |