7-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0391 |
| Compound Name: | 7-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C22 H16 N4 O5 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc([N+]([O-])=O)o2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6105 |
| logD: | 5.6105 |
| logSw: | -5.3806 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.717 |
| InChI Key: | LFLRSURCAYNENU-UHFFFAOYSA-N |