1-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
1-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S990-0592 |
| Compound Name: | 1-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C20 H29 N5 O4 |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)C(c1cc(C)n(CCOC)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6524 |
| logD: | 0.6524 |
| logSw: | -1.5185 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.911 |
| InChI Key: | CHVNACJDULZTBG-GOSISDBHSA-N |