5-[(3-methylthiophen-2-yl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[(3-methylthiophen-2-yl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
5-[(3-methylthiophen-2-yl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S796-0161 |
| Compound Name: | 5-[(3-methylthiophen-2-yl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 356.53 |
| Molecular Formula: | C21 H28 N2 O S |
| Smiles: | Cc1ccsc1CN1CCCCCCNC(CC1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9226 |
| logD: | 3.88 |
| logSw: | -3.7691 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.932 |
| InChI Key: | OLQVALZDNUMBEX-IBGZPJMESA-N |