8-bromo-2,3-dimethyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
8-bromo-2,3-dimethyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
8-bromo-2,3-dimethyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0093 |
| Compound Name: | 8-bromo-2,3-dimethyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C20 H20 Br N O4 S |
| Smiles: | Cc1ccc(cc1)S(C1C2CC(C)(N(C)C1=O)Oc1ccc(cc12)[Br])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8132 |
| logD: | 3.8129 |
| logSw: | -4.1277 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.262 |
| InChI Key: | MLAQLZSKAUFZPB-UHFFFAOYSA-N |