prop-2-en-1-yl 10-ethoxy-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
prop-2-en-1-yl 10-ethoxy-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
prop-2-en-1-yl 10-ethoxy-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: | K272-1778 |
| Compound Name: | prop-2-en-1-yl 10-ethoxy-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CCOc1cccc2C3C(C(=O)OCC=C)C(C)(N(CCCOC)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6625 |
| logD: | 3.6625 |
| logSw: | -3.8266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.658 |
| InChI Key: | YUQLALXMNJUGJP-UHFFFAOYSA-N |