2-[(3-methylphenyl)methyl]-8-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-methylphenyl)methyl]-8-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
Compound ID: | S993-0853 |
Compound Name: | 2-[(3-methylphenyl)methyl]-8-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
Molecular Weight: | 394.47 |
Molecular Formula: | C22 H26 N4 O3 |
Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(c2cccn2C)=O)=O)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.048 |
logD: | 2.048 |
logSw: | -2.3066 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 52.507 |
InChI Key: | GFMMVFSRZAUCME-IBGZPJMESA-N |