3-tert-butyl-4-(2-fluorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-4-(2-fluorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(2-fluorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | V010-2616 |
Compound Name: | 3-tert-butyl-4-(2-fluorophenyl)-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 540.63 |
Molecular Formula: | C28 H30 F2 N4 O3 S |
Smiles: | CC(C)(C)c1c2C(c3ccccc3F)SCC(N(CC(N3CCOCC3)=O)c2n(c2ccc(cc2)F)n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4455 |
logD: | 4.4455 |
logSw: | -4.1756 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.597 |
InChI Key: | INRZZIKUINTGHH-RUZDIDTESA-N |