8-(cyclopropanecarbonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0556 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0892 |
| logD: | 1.0892 |
| logSw: | -2.3558 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.744 |
| InChI Key: | XDYDPVSFONXZOI-HXUWFJFHSA-N |