ethyl 8,10-dichloro-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8,10-dichloro-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8,10-dichloro-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0698 |
| Compound Name: | ethyl 8,10-dichloro-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 401.31 |
| Molecular Formula: | C17 H18 Cl2 N2 O3 S |
| Smiles: | CCOC(C1C2c3cc(cc(c3OC1(C)N(CC=C)C(N2)=S)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6079 |
| logD: | 4.6079 |
| logSw: | -4.8601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.812 |
| InChI Key: | CGSCJZHFRBDGCL-UHFFFAOYSA-N |