N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Compound characteristics
| Compound ID: | S994-0499 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(NCc2ccco2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3098 |
| logD: | 2.1303 |
| logSw: | -2.6828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.694 |
| InChI Key: | XAWZEGSRTYNAPG-FQEVSTJZSA-N |