4-[2-(benzyloxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[2-(benzyloxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[2-(benzyloxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2652 |
| Compound Name: | 4-[2-(benzyloxy)phenyl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | Cc1c2C(c3ccccc3OCc3ccccc3)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6968 |
| logD: | 3.6965 |
| logSw: | -4.0243 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.347 |
| InChI Key: | HGYIHWQAHVDBOX-LJQANCHMSA-N |