N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
					Chemical Structure Depiction of
N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
			N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0054 | 
| Compound Name: | N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide | 
| Molecular Weight: | 418.53 | 
| Molecular Formula: | C20 H22 N2 O4 S2 | 
| Smiles: | CCc1ccc(cc1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 2.7241 | 
| logD: | 2.724 | 
| logSw: | -3.2954 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 77.304 | 
| InChI Key: | HOBMHQMXOPNXQB-UHFFFAOYSA-N | 
 
				 
				