2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V010-8744 |
| Compound Name: | 2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 617.16 |
| Molecular Formula: | C32 H26 Cl F N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cccc(c3)[Cl])SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2cccs2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2485 |
| logD: | 7.2485 |
| logSw: | -6.3357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.515 |
| InChI Key: | PDBXVDGQEJTJNR-WJOKGBTCSA-N |