5-(4-chlorobenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
5-(4-chlorobenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
5-(4-chlorobenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0289 |
| Compound Name: | 5-(4-chlorobenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 377.84 |
| Molecular Formula: | C18 H16 Cl N O4 S |
| Smiles: | CC12CC(C(C(N1)=O)S(c1ccc(cc1)[Cl])(=O)=O)c1ccccc1O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1178 |
| logD: | 3.1177 |
| logSw: | -3.5705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.026 |
| InChI Key: | MXSQJUFIEGCPGI-UHFFFAOYSA-N |