8-(cyclopropanecarbonyl)-1-(1-methyl-1H-indazole-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(1-methyl-1H-indazole-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(1-methyl-1H-indazole-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0351 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(1-methyl-1H-indazole-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | Cn1c2ccccc2c(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)C(C2CC2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7908 |
| logD: | 1.7908 |
| logSw: | -2.2698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.179 |
| InChI Key: | DFMIHAVVNPLDQE-QHCPKHFHSA-N |