1-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0463 |
| Compound Name: | 1-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 440.99 |
| Molecular Formula: | C23 H25 Cl N4 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1c2c(C)nn(c3ccccc3[Cl])c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9731 |
| logD: | 4.8829 |
| logSw: | -5.1379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.857 |
| InChI Key: | KBYSFPGSCYPKLK-JOCHJYFZSA-N |