2-benzyl-8-(2-ethylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-(2-ethylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-(2-ethylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0329 |
| Compound Name: | 2-benzyl-8-(2-ethylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CCC(CC)C(N1CCC2C(N(CCN2CC1)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4772 |
| logD: | 2.4712 |
| logSw: | -2.3503 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.074 |
| InChI Key: | ITYHRQBEWIILIJ-IBGZPJMESA-N |