2-benzyl-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-benzyl-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione--hydrogen chloride (1/1)
2-benzyl-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S993-0315 |
| Compound Name: | 2-benzyl-8-(thiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Salt: | HCl |
| Smiles: | C1CN(CCN2C1C(N(CC2=O)Cc1ccccc1)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4798 |
| logD: | 1.4798 |
| logSw: | -2.0954 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.109 |
| InChI Key: | ODKOKTNJKINPBY-INIZCTEOSA-N |