2-benzyl-8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0379 |
| Compound Name: | 2-benzyl-8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC2C(N(CCN2CC1)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1971 |
| logD: | 2.1918 |
| logSw: | -2.5961 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.774 |
| InChI Key: | HBPWHDOKUHIQKV-QFIPXVFZSA-N |