ethyl 4-(2-methyl-8-nitro-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2-methyl-8-nitro-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
ethyl 4-(2-methyl-8-nitro-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | K272-2502 |
| Compound Name: | ethyl 4-(2-methyl-8-nitro-4-sulfanylidene-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2CC1(C)Oc1ccc(cc12)[N+]([O-])=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1973 |
| logD: | 4.1973 |
| logSw: | -4.4528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.05 |
| InChI Key: | UNLNJNYLINDLIR-UHFFFAOYSA-N |