N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | S796-0504 |
| Compound Name: | N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Smiles: | C1CCCN(C(CC(NCC1)=O)c1ccccc1)C(CNS(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4433 |
| logD: | 1.4427 |
| logSw: | -2.5322 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.989 |
| InChI Key: | PNUQZJUSJQLJSB-NRFANRHFSA-N |