N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1330 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2067 |
| logD: | 1.2063 |
| logSw: | -2.3401 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.128 |
| InChI Key: | AFMXCWKBGBSCQJ-CYBMUJFWSA-N |