3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1899 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C20 H27 N3 O5 |
| Smiles: | COCCN1CCC(C1=O)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5307 |
| logD: | 0.5252 |
| logSw: | -1.5577 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.277 |
| InChI Key: | WMZULSVBTGJBLO-INIZCTEOSA-N |