[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](2-methoxyphenyl)methanone--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](2-methoxyphenyl)methanone--N,N-diethylethanamine (1/1)
[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](2-methoxyphenyl)methanone--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | C297-0068 |
| Compound Name: | [3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](2-methoxyphenyl)methanone--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 549.71 |
| Molecular Formula: | C25 H21 F N2 O3 S |
| Salt: | (C2H5)3N |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccccc2OC)=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5362 |
| logD: | 4.5362 |
| logSw: | -4.6112 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.5141 |
| InChI Key: | AVYYMPRTTAPJPF-UHFFFAOYSA-N |