10-ethyl-7-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-ethyl-7-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-ethyl-7-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0270 |
| Compound Name: | 10-ethyl-7-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C23 H16 N4 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2cccc(c2)[N+]([O-])=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.973 |
| logD: | 5.973 |
| logSw: | -5.5058 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.184 |
| InChI Key: | VGYCIIKVPZPHKU-UHFFFAOYSA-N |