2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0231 |
| Compound Name: | 2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 514.55 |
| Molecular Formula: | C30 H27 F N2 O5 |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1113 |
| logD: | 4.1113 |
| logSw: | -4.4298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.118 |
| InChI Key: | VDFUVSWDXZZUJW-UHFFFAOYSA-N |