8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-0994 |
| Compound Name: | 8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C19 H29 N3 O4 S |
| Smiles: | CC(C)CC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1214 |
| logD: | 1.1214 |
| logSw: | -2.3449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.504 |
| InChI Key: | MFNUQUBWKSNLHN-UHFFFAOYSA-N |