[10-methoxy-2-methyl-3-(3-methylphenyl)-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
[10-methoxy-2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
[10-methoxy-2-methyl-3-(3-methylphenyl)-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: | C297-0034 |
| 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](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C29 H30 N2 O6 S |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC1(C)Oc1c2cccc1OC)C(c1cc(c(c(c1)OC)OC)OC)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6788 |
| logD: | 4.6788 |
| logSw: | -4.6297 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.176 |
| InChI Key: | BKSSVWLRNBEFKY-UHFFFAOYSA-N |