7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0419 |
| Compound Name: | 7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C25 H20 N4 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(c(C)c2)[N+]([O-])=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9748 |
| logD: | 6.9748 |
| logSw: | -5.5977 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.137 |
| InChI Key: | BUTNXPWJSUEMIR-UHFFFAOYSA-N |