2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
					Chemical Structure Depiction of
2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
			2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | V019-7232 | 
| Compound Name: | 2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide | 
| Molecular Weight: | 558.68 | 
| Molecular Formula: | C31 H31 F N4 O3 S | 
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc(cc3)F)SCC(N2CC(NCCOC)=O)=O)c(c2ccccc2)n1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.6141 | 
| logD: | 5.6141 | 
| logSw: | -5.4009 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 62.651 | 
| InChI Key: | KPCOVKNKNQJWCJ-SSEXGKCCSA-N | 
 
				 
				