7-{5-[(adamantan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[(adamantan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[(adamantan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0132 |
| Compound Name: | 7-{5-[(adamantan-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)c1nc(CC23CC4CC(CC(C4)C3)C2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8221 |
| logD: | 6.8221 |
| logSw: | -5.7163 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.543 |
| InChI Key: | INYQCYVCOZLAEJ-UHFFFAOYSA-N |