N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | L705-0544 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CC(CC(Nc1ccc2c(c1)OCCO2)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2748 |
| logD: | 1.2742 |
| logSw: | -2.3753 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.864 |
| InChI Key: | UBHNLWBZPYLEPO-ZDUSSCGKSA-N |