8-(benzenesulfonyl)-1-[(3-fluoro-2-hydroxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(3-fluoro-2-hydroxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(3-fluoro-2-hydroxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1153 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(3-fluoro-2-hydroxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C21 H26 F N3 O4 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)Cc1cccc(c1O)F |
| Stereo: | ACHIRAL |
| logP: | 1.9853 |
| logD: | 1.9255 |
| logSw: | -2.5897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.324 |
| InChI Key: | IRXNGZOUFXMYHO-UHFFFAOYSA-N |