N-(3-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-(3-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
Compound ID: | L705-0418 |
Compound Name: | N-(3-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
Molecular Weight: | 434.53 |
Molecular Formula: | C20 H22 N2 O5 S2 |
Smiles: | CC(CC(Nc1cccc(c1)OC)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.3687 |
logD: | 2.3684 |
logSw: | -2.9888 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.584 |
InChI Key: | YNPYOFVDDZYWGP-ZDUSSCGKSA-N |