ethyl 8-chloro-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8-chloro-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-chloro-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0684 |
| Compound Name: | ethyl 8-chloro-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C18 H23 Cl N2 O4 S |
| Smiles: | CCOC(C1C2c3cc(ccc3OC1(C)N(CCCOC)C(N2)=S)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6184 |
| logD: | 3.6184 |
| logSw: | -4.1186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.47 |
| InChI Key: | VATSIHDTOABSJJ-UHFFFAOYSA-N |