N-{4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Chemical Structure Depiction of
N-{4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
N-{4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Compound characteristics
| Compound ID: | F255-0495 |
| Compound Name: | N-{4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]phenyl}-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C29 H30 N4 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(Nc1ccc(CCc3nc4ccccc4n3C)cc1)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9731 |
| logD: | 3.8483 |
| logSw: | -4.0337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.911 |
| InChI Key: | VYTFHQPOHMBHAF-UHFFFAOYSA-N |