N-(4-chlorophenyl)-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1922 |
| Compound Name: | N-(4-chlorophenyl)-2-methyl-3-(prop-2-en-1-yl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | CC12C(C(c3ccccc3O2)NC(N1CC=C)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5371 |
| logD: | 4.5303 |
| logSw: | -4.8307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.465 |
| InChI Key: | CMGBOBDVQQYXAA-UHFFFAOYSA-N |