N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1072 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 479.66 |
| Molecular Formula: | C26 H29 N3 O2 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)SCCNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6712 |
| logD: | 4.6712 |
| logSw: | -4.7002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.799 |
| InChI Key: | JOOYSMZHHFQGEJ-UHFFFAOYSA-N |