1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0133 |
| Compound Name: | 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | Cc1cc(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0903 |
| logD: | -0.0903 |
| logSw: | -2.3355 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.046 |
| InChI Key: | FEAXNNOEZSEQKW-SFHVURJKSA-N |