1-(1-ethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1-ethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(1-ethyl-1H-pyrazole-5-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0126 |
| Compound Name: | 1-(1-ethyl-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: | CCn1c(ccn1)C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1914 |
| logD: | 0.1914 |
| logSw: | -2.2482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.812 |
| InChI Key: | POZPLXROCPFPDY-IBGZPJMESA-N |