3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V021-1227 |
| Compound Name: | 3-tert-butyl-1-(4-fluorophenyl)-4-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 520.67 |
| Molecular Formula: | C29 H33 F N4 O2 S |
| Smiles: | Cc1ccccc1C1c2c(C(C)(C)C)nn(c3ccc(cc3)F)c2N(CC(N2CCCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6802 |
| logD: | 5.6802 |
| logSw: | -5.2818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.055 |
| InChI Key: | HRMOYZNBWXNLES-AREMUKBSSA-N |