3-(4-chlorophenyl)-2-methyl-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-methyl-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(4-chlorophenyl)-2-methyl-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0037 |
| Compound Name: | 3-(4-chlorophenyl)-2-methyl-5-(thiophene-2-carbonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cccs2)=O)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9021 |
| logD: | 4.9021 |
| logSw: | -5.0431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.209 |
| InChI Key: | IXPJSHUJVZZMMO-UHFFFAOYSA-N |