4-[2-(benzyloxy)-3-methoxyphenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[2-(benzyloxy)-3-methoxyphenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[2-(benzyloxy)-3-methoxyphenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2662 |
| Compound Name: | 4-[2-(benzyloxy)-3-methoxyphenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1c2C(c3cccc(c3OCc3ccccc3)OC)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3895 |
| logD: | 3.3891 |
| logSw: | -3.8013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.064 |
| InChI Key: | YSHSKFJZKYMWLL-HXUWFJFHSA-N |