N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-fluorobenzamide
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-fluorobenzamide
Compound characteristics
Compound ID: | J031-0999 |
Compound Name: | N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-4-fluorobenzamide |
Molecular Weight: | 329.37 |
Molecular Formula: | C19 H20 F N O3 |
Smiles: | CCC(c1ccc2c(c1)OCCCO2)NC(c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.223 |
logD: | 3.223 |
logSw: | -3.3745 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.436 |
InChI Key: | XIMIILBNJBHVOH-INIZCTEOSA-N |