2-[(3-methylphenyl)methyl]-1-oxo-N-(2-phenylethyl)octahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-1-oxo-N-(2-phenylethyl)octahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
2-[(3-methylphenyl)methyl]-1-oxo-N-(2-phenylethyl)octahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Compound characteristics
| Compound ID: | S994-0498 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-1-oxo-N-(2-phenylethyl)octahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(NCCc2ccccc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9757 |
| logD: | 2.7962 |
| logSw: | -3.2956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.787 |
| InChI Key: | OXFCSKGKWAOXTF-QHCPKHFHSA-N |