4-[(3-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(3-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0230 |
| Compound Name: | 4-[(3-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 534.59 |
| Molecular Formula: | C32 H27 F N4 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3517 |
| logD: | 5.3428 |
| logSw: | -5.7425 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.453 |
| InChI Key: | NTCVKBXCRSYIDS-UHFFFAOYSA-N |