N-cyclooctyl-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-cyclooctyl-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-cyclooctyl-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | K783-5760 |
| Compound Name: | N-cyclooctyl-2-(2,2-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 374.54 |
| Molecular Formula: | C21 H30 N2 O2 S |
| Smiles: | CC1(C)CC(N(CC(NC2CCCCCCC2)=O)c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0824 |
| logD: | 5.0824 |
| logSw: | -4.7211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.478 |
| InChI Key: | KDVGJKUGMLCDKA-UHFFFAOYSA-N |