1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0149 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C22 H19 N5 O S2 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(c3cccs3)SCC(N2)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8948 |
| logD: | 3.8939 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.474 |
| InChI Key: | PVYKLSLVLDKCIU-FQEVSTJZSA-N |