4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V018-0839 |
| Compound Name: | 4-(4-fluorophenyl)-1-(2-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C29 H27 F N4 O2 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccc(cc3)F)SCC(N2CC(N2CCCC2)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7509 |
| logD: | 5.7509 |
| logSw: | -5.3669 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.501 |
| InChI Key: | DOXAXCPAHVEVLZ-MUUNZHRXSA-N |