2-benzyl-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0339 |
| Compound Name: | 2-benzyl-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | C1CN(CCN2CCN(Cc3ccccc3)C(C12)=O)C(Cc1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9554 |
| logD: | 1.9496 |
| logSw: | -2.2061 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.293 |
| InChI Key: | ANKVLGKQVOXZRJ-LJQANCHMSA-N |