8-bromo-2,3-dimethyl-5-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
8-bromo-2,3-dimethyl-5-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
8-bromo-2,3-dimethyl-5-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | K273-0186F |
| Compound Name: | 8-bromo-2,3-dimethyl-5-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C22 H21 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1)Nc1nnc(C2C3CC(C)(N(C)C2=O)Oc2ccc(cc23)[Br])s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2413 |
| logD: | 5.2413 |
| logSw: | -4.9702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.947 |
| InChI Key: | RFDVJDRVLDDYSB-UHFFFAOYSA-N |