1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-2-one
Chemical Structure Depiction of
1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-2-one
1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-2-one
Compound characteristics
Compound ID: | J076-0467 |
Compound Name: | 1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-2-one |
Molecular Weight: | 453.51 |
Molecular Formula: | C25 H28 F N3 O4 |
Smiles: | C1CN(Cc2ccccc2F)C(N(C1)c1ccc(cc1)C(N1CCC2(CC1)OCCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8178 |
logD: | 2.8178 |
logSw: | -3.0814 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.882 |
InChI Key: | JLMURNGROFVXQZ-UHFFFAOYSA-N |