(5-bromofuran-2-yl)[10-methoxy-2-methyl-3-(4-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)[10-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
(5-bromofuran-2-yl)[10-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Compound characteristics
| Compound ID: | C297-0073 |
| Compound Name: | (5-bromofuran-2-yl)[10-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C24 H21 Br N2 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(N(C2CC1(C)Oc1c2cccc1OC)C(c1ccc(o1)[Br])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0124 |
| logD: | 5.0124 |
| logSw: | -4.7387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.124 |
| InChI Key: | LXEBDZRSMZOPSM-UHFFFAOYSA-N |