8-(cyclopropanecarbonyl)-1-(ethanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(ethanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(ethanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0543 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(ethanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | CCS(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0152 |
| logD: | 1.0152 |
| logSw: | -2.3206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.871 |
| InChI Key: | HWRADNDPZWQNDT-GOSISDBHSA-N |