N-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | C798-1098 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | C(CC(NCCOC12CC3CC(CC(C3)C2)C1)=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4744 |
| logD: | 4.4744 |
| logSw: | -4.3918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.005 |
| InChI Key: | VBZFFJJQWDZIRV-UHFFFAOYSA-N |