8-(benzenesulfonyl)-1-[(3-fluorophenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(3-fluorophenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(3-fluorophenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1129 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(3-fluorophenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C21 H26 F N3 O3 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)Cc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.0055 |
| logD: | 1.9079 |
| logSw: | -2.8026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.844 |
| InChI Key: | MXCCSPJUZFMUCL-UHFFFAOYSA-N |