8-(cyclopropanecarbonyl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0359 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | Cc1c(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)C(C2CC2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0746 |
| logD: | 2.0746 |
| logSw: | -2.7014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.032 |
| InChI Key: | HHLIEJMOUWYJNQ-HXUWFJFHSA-N |