3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-2-benzopyran-1-one
Chemical Structure Depiction of
3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-2-benzopyran-1-one
3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | C607-0737 |
| Compound Name: | 3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-2-benzopyran-1-one |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C27 H23 F N2 O3 |
| Smiles: | C1CN(Cc2ccc(cc2)F)CN(C1)C(C1=C(c2ccccc2)c2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3092 |
| logD: | 4.2542 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.896 |
| InChI Key: | VZYZTGAZYPWFLS-UHFFFAOYSA-N |