1-(2-chlorophenyl)-4-[4-(dimethylamino)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-(dimethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0457 |
| Compound Name: | 1-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | Cc1c2C(c3ccc(cc3)N(C)C)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2526 |
| logD: | 4.2486 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.926 |
| InChI Key: | JDBDCGCMVXDRET-HXUWFJFHSA-N |