N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Compound characteristics
| Compound ID: | SD68-0763 |
| Compound Name: | N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide |
| Molecular Weight: | 386.54 |
| Molecular Formula: | C22 H34 N4 O2 |
| Smiles: | CC(C)CCNC(N1CCCN2CCN(Cc3cccc(C)c3)C(C2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1044 |
| logD: | 2.9249 |
| logSw: | -3.1168 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.992 |
| InChI Key: | SELZHXAWRBFGKC-FQEVSTJZSA-N |