methyl 10-methoxy-3-(3-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
methyl 10-methoxy-3-(3-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
methyl 10-methoxy-3-(3-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | C302-0010 |
| Compound Name: | methyl 10-methoxy-3-(3-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1c1cccc(c1)OC)=S)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5841 |
| logD: | 3.5841 |
| logSw: | -4.0017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.544 |
| InChI Key: | YODWVHJIDYVEDG-UHFFFAOYSA-N |