8-(methanesulfonyl)-7-phenyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-7-phenyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-7-phenyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0187 |
| Compound Name: | 8-(methanesulfonyl)-7-phenyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1c[nH]nc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0013 |
| logD: | 0.8182 |
| logSw: | -2.5862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.998 |
| InChI Key: | HIFVOEOSTOKXMU-QHCPKHFHSA-N |