N-[1-(adamantan-1-yl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[1-(adamantan-1-yl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0152 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C23 H30 N2 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CN1C(CCSc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3385 |
| logD: | 4.3385 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.618 |
| InChI Key: | XBPDPBRNXXYVQO-SCUMNGBJSA-N |