1-cyclohexyl-3-hydroxy-4-[4-methoxy-3-(methoxymethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cyclohexyl-3-hydroxy-4-[4-methoxy-3-(methoxymethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cyclohexyl-3-hydroxy-4-[4-methoxy-3-(methoxymethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0144 |
| Compound Name: | 1-cyclohexyl-3-hydroxy-4-[4-methoxy-3-(methoxymethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | COCc1cc(ccc1OC)C1c2c(nn(C3CCCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0741 |
| logD: | 2.4318 |
| logSw: | -3.2442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.693 |
| InChI Key: | QKSZMYOWYQWQJW-LJQANCHMSA-N |