2-benzyl-9-[(5-methylthiophen-2-yl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-benzyl-9-[(5-methylthiophen-2-yl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
2-benzyl-9-[(5-methylthiophen-2-yl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0477 |
| Compound Name: | 2-benzyl-9-[(5-methylthiophen-2-yl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | Cc1ccc(CN2CCCN3C(C2)C(N(CC3=O)Cc2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1536 |
| logD: | 1.3184 |
| logSw: | -2.3571 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.126 |
| InChI Key: | YDSPTBWSMFTJTH-IBGZPJMESA-N |