N-[(4-fluorophenyl)methyl]-4-(prop-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-(prop-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
N-[(4-fluorophenyl)methyl]-4-(prop-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Compound characteristics
| Compound ID: | T001-0511 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-(prop-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide |
| Molecular Weight: | 352.36 |
| Molecular Formula: | C20 H17 F N2 O3 |
| Smiles: | C#CC(N1CCOc2ccccc2C1C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4018 |
| logD: | 2.4017 |
| logSw: | -2.7335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.573 |
| InChI Key: | SJFKJAGBXWXFBB-LJQANCHMSA-N |