N-cyclooctyl-N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N-cyclooctyl-N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methylglycinamide
N-cyclooctyl-N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | K906-3279 |
| Compound Name: | N-cyclooctyl-N~2~-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonyl)-N~2~-methylglycinamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C20 H28 N4 O5 S |
| Smiles: | CN(CC(NC1CCCCCCC1)=O)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2731 |
| logD: | 1.7399 |
| logSw: | -3.1177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.494 |
| InChI Key: | CFKBRJIJDVAPMX-UHFFFAOYSA-N |