1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0683 |
| Compound Name: | 1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C33 H37 N5 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7361 |
| logD: | 2.7116 |
| logSw: | -2.8555 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.687 |
| InChI Key: | BXBYLPLPJOCJAZ-HKBQPEDESA-N |