8-(methanesulfonyl)-1-[(3-methoxyphenyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-[(3-methoxyphenyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-[(3-methoxyphenyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0014 |
| Compound Name: | 8-(methanesulfonyl)-1-[(3-methoxyphenyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | COc1cccc(CC(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.633 |
| logD: | 1.633 |
| logSw: | -2.5126 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.74 |
| InChI Key: | ZIYMLDIOIYZVNI-QFIPXVFZSA-N |