1-[3-(1H-indol-3-yl)propanoyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[3-(1H-indol-3-yl)propanoyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[3-(1H-indol-3-yl)propanoyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0032 |
| Compound Name: | 1-[3-(1H-indol-3-yl)propanoyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(CCc1c[nH]c2ccccc12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8943 |
| logD: | 1.8943 |
| logSw: | -2.6142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.067 |
| InChI Key: | QTZCWXRVOWSZIX-DEOSSOPVSA-N |