1-(benzenesulfonyl)-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1554 |
| Compound Name: | 1-(benzenesulfonyl)-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | Cc1ccc(CNC(C2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2166 |
| logD: | 1.2166 |
| logSw: | -2.3321 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.98 |
| InChI Key: | BKKUDTIFKWPVEC-SFHVURJKSA-N |