9-(hydroxymethyl)-5-(3-methylbenzoyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-(hydroxymethyl)-5-(3-methylbenzoyl)-1,5-diazacycloundecan-2-one
9-(hydroxymethyl)-5-(3-methylbenzoyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S786-0017 |
| Compound Name: | 9-(hydroxymethyl)-5-(3-methylbenzoyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | Cc1cccc(c1)C(N1CCCC(CCNC(CC1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8176 |
| logD: | 0.8176 |
| logSw: | -1.9545 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.356 |
| InChI Key: | WGCIGKRZSKRSQA-HNNXBMFYSA-N |