N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
					Chemical Structure Depiction of
N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
			N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1412 | 
| Compound Name: | N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide | 
| Molecular Weight: | 483.4 | 
| Molecular Formula: | C19 H19 Br N2 O4 S2 | 
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1cccc(c1)[Br])=O)(=O)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 3.0422 | 
| logD: | 3.0408 | 
| logSw: | -3.5468 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 77.304 | 
| InChI Key: | JNTAUWQOIXYWOX-GFCCVEGCSA-N | 
 
				 
				