(5-bromofuran-2-yl)[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl)[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
(5-bromofuran-2-yl)[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Compound characteristics
| Compound ID: | C297-0088 |
| Compound Name: | (5-bromofuran-2-yl)[2-methyl-3-(3-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone |
| Molecular Weight: | 483.38 |
| Molecular Formula: | C23 H19 Br N2 O3 S |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccc(o1)[Br])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1617 |
| logD: | 5.1617 |
| logSw: | -5.1017 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.81 |
| InChI Key: | RFDFRJRIWFSJQJ-UHFFFAOYSA-N |