N-[(4-fluorophenyl)methyl]-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
N-[(4-fluorophenyl)methyl]-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Compound characteristics
Compound ID: | T001-0513 |
Compound Name: | N-[(4-fluorophenyl)methyl]-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide |
Molecular Weight: | 354.38 |
Molecular Formula: | C20 H19 F N2 O3 |
Smiles: | C=CC(N1CCOc2ccccc2C1C(NCc1ccc(cc1)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6522 |
logD: | 2.6521 |
logSw: | -2.9786 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.573 |
InChI Key: | XMMDFKZAFAAURK-LJQANCHMSA-N |