N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V018-0898 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 600.71 |
| Molecular Formula: | C32 H26 F2 N4 O2 S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccc(cc3)F)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6482 |
| logD: | 6.6482 |
| logSw: | -5.6732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.214 |
| InChI Key: | MCFURBUXPQWYSR-WJOKGBTCSA-N |