N-benzyl-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
N-benzyl-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide
Compound characteristics
| Compound ID: | S993-0827 |
| Compound Name: | N-benzyl-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(NCc2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9778 |
| logD: | 1.9778 |
| logSw: | -2.5104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.233 |
| InChI Key: | HKMNCHZJMPMIQZ-NRFANRHFSA-N |