8-(cyclopropanecarbonyl)-1-(3-fluorobenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(3-fluorobenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(3-fluorobenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0545 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(3-fluorobenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C24 H28 F N3 O4 S |
| Smiles: | C1CN(C(CC(NCCN(C1)S(c1cccc(c1)F)(=O)=O)=O)c1ccccc1)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4696 |
| logD: | 2.4696 |
| logSw: | -3.0222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.706 |
| InChI Key: | QFWKKQJWZKKAKV-JOCHJYFZSA-N |