N-tert-butyl-4-(but-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-(but-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
N-tert-butyl-4-(but-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Compound characteristics
Compound ID: | T001-0737 |
Compound Name: | N-tert-butyl-4-(but-2-ynoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide |
Molecular Weight: | 314.38 |
Molecular Formula: | C18 H22 N2 O3 |
Smiles: | CC#CC(N1CCOc2ccccc2C1C(NC(C)(C)C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.268 |
logD: | 3.268 |
logSw: | -3.3087 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.668 |
InChI Key: | RYKWAGWRQPDGGX-MRXNPFEDSA-N |