N-{1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}furan-2-carboxamide
N-{1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | G946-0312 |
| Compound Name: | N-{1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}furan-2-carboxamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(C(C)NC(c2ccco2)=O)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.455 |
| logD: | 5.455 |
| logSw: | -5.3572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.483 |
| InChI Key: | XIGLLHZSPLQUGH-HNNXBMFYSA-N |