2-[(3-methylphenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-methylphenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0811 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-(3-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(c2c(C)ccs2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4922 |
| logD: | 2.4922 |
| logSw: | -2.4945 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.109 |
| InChI Key: | HKSMIZILYLHBTM-GOSISDBHSA-N |