1-(9-bromo-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocin-11-yl)ethan-1-one
Chemical Structure Depiction of
1-(9-bromo-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocin-11-yl)ethan-1-one
1-(9-bromo-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocin-11-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8020-1261 |
| Compound Name: | 1-(9-bromo-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocin-11-yl)ethan-1-one |
| Molecular Weight: | 341.22 |
| Molecular Formula: | C13 H13 Br N2 O2 S |
| Smiles: | CC(C1C2c3ccc(cc3OC1(C)NC(N2)=S)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7843 |
| logD: | 2.7843 |
| logSw: | -3.3813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.36 |
| InChI Key: | USSUHFYVPPKYPS-UHFFFAOYSA-N |