4-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0465 |
| Compound Name: | 4-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C23 H25 F N4 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1c2c(C)nn(c3ccc(cc3)F)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4405 |
| logD: | 4.3507 |
| logSw: | -4.1931 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.159 |
| InChI Key: | LDKHGTRHWFAEQG-JOCHJYFZSA-N |