N-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
N-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Compound characteristics
| Compound ID: | SD68-0902 |
| Compound Name: | N-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C23 H26 F2 N4 O3 |
| Smiles: | COc1ccc(cc1F)NC(N1CCCN2CCN(Cc3ccc(cc3)F)C(C2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4407 |
| logD: | 2.3835 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.187 |
| InChI Key: | KZWIEBIFBWEDSP-FQEVSTJZSA-N |