8-(3-methylbutanoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(3-methylbutanoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(3-methylbutanoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0432 |
| Compound Name: | 8-(3-methylbutanoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CC(C)CC(N1CCC2C(N(CCN2CC1)Cc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5323 |
| logD: | 2.5274 |
| logSw: | -2.5593 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.547 |
| InChI Key: | FNMIYFZDHCFSDS-IBGZPJMESA-N |