8-(cyclopropanecarbonyl)-1-(2,4-dimethoxybenzoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(2,4-dimethoxybenzoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(2,4-dimethoxybenzoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0328 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(2,4-dimethoxybenzoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C27 H33 N3 O5 |
| Smiles: | COc1ccc(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)C(C2CC2)=O)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1326 |
| logD: | 2.1326 |
| logSw: | -3.1387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.817 |
| InChI Key: | VRWCTRVVAKVQQK-QHCPKHFHSA-N |