3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-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-4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-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-4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-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: | V009-8114 |
| Compound Name: | 3-tert-butyl-4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 566.7 |
| Molecular Formula: | C30 H35 F N4 O4 S |
| Smiles: | CC(C)(C)c1c2C(c3cc(ccc3OC)OC)SCC(N(CC(N3CCCC3)=O)c2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4298 |
| logD: | 5.4298 |
| logSw: | -5.3411 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.229 |
| InChI Key: | VNWRYISBQGLFQR-HHHXNRCGSA-N |