N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1341 |
| Compound Name: | N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C17 H19 N3 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1cc(C)on1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6084 |
| logD: | 1.4406 |
| logSw: | -2.5711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.1 |
| InChI Key: | HUENWONWWQMPCG-LLVKDONJSA-N |