N-(3-chloro-4-fluorophenyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
N-(3-chloro-4-fluorophenyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
Compound characteristics
| Compound ID: | SD68-0147 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide |
| Molecular Weight: | 340.78 |
| Molecular Formula: | C15 H18 Cl F N4 O2 |
| Smiles: | C1CN2CCNC(C2CN(C1)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3046 |
| logD: | 0.7142 |
| logSw: | -2.7195 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.211 |
| InChI Key: | JEXDVIHNVHNVJU-ZDUSSCGKSA-N |