7-[5-(adamantan-1-yl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(adamantan-1-yl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(adamantan-1-yl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0281 |
| Compound Name: | 7-[5-(adamantan-1-yl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(C23CC4CC(CC(C4)C3)C2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6315 |
| logD: | 7.6315 |
| logSw: | -5.7217 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.836 |
| InChI Key: | QFGNNXURTVOZIQ-UHFFFAOYSA-N |