8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0544 |
| Compound Name: | 8-(cyclopropanecarbonyl)-7-phenyl-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | C1CN(C(CC(NCCN(C1)S(c1cccs1)(=O)=O)=O)c1ccccc1)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9866 |
| logD: | 1.9866 |
| logSw: | -2.654 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.724 |
| InChI Key: | MCUPATZOJVAEPE-LJQANCHMSA-N |