1-benzyl-3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-benzyl-3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
1-benzyl-3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-0550 |
| Compound Name: | 1-benzyl-3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | COc1cccc(c1C(N1CCCN(CC1)C1CCN(Cc2ccccc2)C1=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6828 |
| logD: | 1.6808 |
| logSw: | -1.9125 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.83 |
| InChI Key: | PBZRCJDOXHRAMI-FQEVSTJZSA-N |