4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | 5897-0200 |
Compound Name: | 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 409.51 |
Molecular Formula: | C22 H23 N3 O3 S |
Smiles: | Cc1c2C(c3ccc(c(COC)c3)OC)SCC(Nc2n(c2ccccc2)n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2634 |
logD: | 3.2633 |
logSw: | -3.4432 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.477 |
InChI Key: | KFYSRHWBSUJCSP-OAQYLSRUSA-N |