(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3,4,5-trimethoxyphenyl)methanone
(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | C297-0023 |
| Compound Name: | (2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cc(c(c(c2)OC)OC)OC)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1332 |
| logD: | 4.1332 |
| logSw: | -4.4596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.862 |
| InChI Key: | PDNLVGGSNCRBNE-UHFFFAOYSA-N |