N-(4-chlorophenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(4-chlorophenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1004 |
| Compound Name: | N-(4-chlorophenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 459.99 |
| Molecular Formula: | C23 H26 Cl N3 O3 S |
| Smiles: | Cc1ccc2c(c1)C1C(C(Nc3ccc(cc3)[Cl])=O)C(C)(N(CCCOC)C(N1)=S)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6453 |
| logD: | 4.6385 |
| logSw: | -4.8455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.807 |
| InChI Key: | RFOBTFSSMXJEAO-UHFFFAOYSA-N |