4-[4-(diethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(diethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(diethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0082 |
| Compound Name: | 4-[4-(diethylamino)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C28 H30 N6 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1c2c(c3ccccc3)nn(c3nc(C)cc(C)n3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1359 |
| logD: | 5.0462 |
| logSw: | -5.0343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.192 |
| InChI Key: | RSKLSAZCGAQUHC-AREMUKBSSA-N |