3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
					Chemical Structure Depiction of
3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
			3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2598 | 
| Compound Name: | 3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one | 
| Molecular Weight: | 327.33 | 
| Molecular Formula: | C14 H12 F3 N3 O S | 
| Smiles: | Cc1c2C(c3ccccc3C(F)(F)F)SCC(Nc2[nH]n1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 2.8126 | 
| logD: | 2.8123 | 
| logSw: | -3.5609 | 
| Hydrogen bond acceptors count: | 4 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 49.033 | 
| InChI Key: | DOVHYFNZOOLXNS-GFCCVEGCSA-N | 
 
				 
				