7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0612 |
| Compound Name: | 7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)C(c1cccs1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0444 |
| logD: | 2.02 |
| logSw: | -2.4891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.816 |
| InChI Key: | IRXBWFQPKAUHBF-JOCHJYFZSA-N |