5-(4-chlorobenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
5-(4-chlorobenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
5-(4-chlorobenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0317 |
| Compound Name: | 5-(4-chlorobenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C20 H20 Cl N O5 S |
| Smiles: | CC12CC(C(C(N1C)=O)S(c1ccc(cc1)[Cl])(=O)=O)c1cc(ccc1O2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2498 |
| logD: | 3.2494 |
| logSw: | -3.8202 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.805 |
| InChI Key: | FYFHGMWBQDVCQU-UHFFFAOYSA-N |