4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0194 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(cc3)OCc3ccccc3)SCC(Nc2n(C2CCOC(C)(C)C2)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7474 |
| logD: | 4.7474 |
| logSw: | -4.6528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.682 |
| InChI Key: | VXDFNOMMMZPKJY-UHFFFAOYSA-N |