(10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3-nitrophenyl)methanone
(10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C297-0046 |
| Compound Name: | (10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CC12CC(c3cccc(c3O2)OC)N(C(c2cccc(c2)[N+]([O-])=O)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2056 |
| logD: | 4.2056 |
| logSw: | -4.6011 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.58 |
| InChI Key: | OWAIDRLLAGMUNP-UHFFFAOYSA-N |