[10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-methoxyphenyl)methanone
Chemical Structure Depiction of
[10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-methoxyphenyl)methanone
[10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | C297-0097 |
| Compound Name: | [10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-methoxyphenyl)methanone |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC1(C)Oc1c2cccc1OC)C(c1ccc(cc1)OC)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9462 |
| logD: | 4.9462 |
| logSw: | -4.7961 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 37.742 |
| InChI Key: | SPJJLINDDIVZKO-UHFFFAOYSA-N |