4-[4-(diethylamino)phenyl]-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(diethylamino)phenyl]-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(diethylamino)phenyl]-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0462 |
| Compound Name: | 4-[4-(diethylamino)phenyl]-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1c2c(C)nn(c3ccc(C)cc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8348 |
| logD: | 4.745 |
| logSw: | -4.521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.159 |
| InChI Key: | FDBAMZHIFDNFOK-HSZRJFAPSA-N |