N-[2-(1H-benzimidazol-2-yl)ethyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J076-0645 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-4-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C27 H26 F N5 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(N(C1)c1ccc(cc1)C(NCCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7542 |
| logD: | 3.7537 |
| logSw: | -4.1057 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.333 |
| InChI Key: | JKKPFYZFYVBNTD-UHFFFAOYSA-N |