7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0842 |
| Compound Name: | 7-phenyl-8-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C24 H28 N4 O3 S2 |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)S(c1cccs1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8444 |
| logD: | 1.8199 |
| logSw: | -2.3232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.879 |
| InChI Key: | YWRWHRORPVLHOJ-JOCHJYFZSA-N |