[3-(4-ethylphenyl)-2-methyl-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
[3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
[3-(4-ethylphenyl)-2-methyl-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: | C297-0091 |
| Compound Name: | [3-(4-ethylphenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C29 H30 N2 O5 S |
| Smiles: | CCc1ccc(cc1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1cc(c(c(c1)OC)OC)OC)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1854 |
| logD: | 5.1854 |
| logSw: | -5.0714 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.862 |
| InChI Key: | PKCDWLDDZZJSHY-UHFFFAOYSA-N |