1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0752 |
| Compound Name: | 1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C26 H32 N4 O S |
| Smiles: | Cc1ccc(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0219 |
| logD: | 2.5221 |
| logSw: | -2.9735 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.901 |
| InChI Key: | UCTYYPABEKACSC-RUZDIDTESA-N |