2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
					Chemical Structure Depiction of
2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
			2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V017-2994 | 
| Compound Name: | 2-[1-(2-methylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide | 
| Molecular Weight: | 516.68 | 
| Molecular Formula: | C28 H28 N4 O2 S2 | 
| Smiles: | CCCNC(CN1C(CSC(c2ccsc2)c2c(c3ccccc3)nn(c3ccccc3C)c12)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.2602 | 
| logD: | 5.2602 | 
| logSw: | -5.0741 | 
| Hydrogen bond acceptors count: | 6 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 55.327 | 
| InChI Key: | NGROXJXIARBENL-MHZLTWQESA-N | 
 
				 
				