8-[(3-methylphenyl)methyl]-1-oxa-4,8-diazacycloundecan-5-one
Chemical Structure Depiction of
8-[(3-methylphenyl)methyl]-1-oxa-4,8-diazacycloundecan-5-one
8-[(3-methylphenyl)methyl]-1-oxa-4,8-diazacycloundecan-5-one
Compound characteristics
| Compound ID: | S789-0172 |
| Compound Name: | 8-[(3-methylphenyl)methyl]-1-oxa-4,8-diazacycloundecan-5-one |
| Molecular Weight: | 276.38 |
| Molecular Formula: | C16 H24 N2 O2 |
| Smiles: | Cc1cccc(CN2CCCOCCNC(CC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.4996 |
| logD: | 0.5298 |
| logSw: | -2.0514 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.234 |
| InChI Key: | PYJJADIOWOSRRX-UHFFFAOYSA-N |