8-(methanesulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0074 |
| Compound Name: | 8-(methanesulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(COc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0054 |
| logD: | 1.0054 |
| logSw: | -2.209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.695 |
| InChI Key: | FYCGSTTYTIBGLS-NRFANRHFSA-N |