N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
					Chemical Structure Depiction of
N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
			N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | L705-0613 | 
| Compound Name: | N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide | 
| Molecular Weight: | 418.53 | 
| Molecular Formula: | C20 H22 N2 O4 S2 | 
| Smiles: | CC(CC(Nc1cccc(C)c1)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 2.6622 | 
| logD: | 2.6621 | 
| logSw: | -3.096 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 78.04 | 
| InChI Key: | QNUAYQHJAIDDFS-AWEZNQCLSA-N | 
 
				 
				