8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0314 |
| Compound Name: | 8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)C(C1CC1)=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1866 |
| logD: | 2.1866 |
| logSw: | -2.6903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.661 |
| InChI Key: | RCXDJDNVWCYVHS-LJQANCHMSA-N |