1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Compound characteristics
Compound ID: | S979-0362 |
Compound Name: | 1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one |
Molecular Weight: | 394.47 |
Molecular Formula: | C23 H26 N2 O4 |
Smiles: | C[C@H]1COc2ccc(cc2CN1C(COc1ccccc1)=O)C(N1CCCC1)=O |
Stereo: | ABSOLUTE |
logP: | 2.9539 |
logD: | 2.9539 |
logSw: | -3.2152 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.6 |
InChI Key: | ZXDCBAXTSZHJLL-QGZVFWFLSA-N |