N-ethyl-N-{[4-(4-fluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}ethanamine
Chemical Structure Depiction of
N-ethyl-N-{[4-(4-fluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}ethanamine
N-ethyl-N-{[4-(4-fluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}ethanamine
Compound characteristics
| Compound ID: | T634-0479 |
| Compound Name: | N-ethyl-N-{[4-(4-fluorobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}ethanamine |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C20 H25 F N2 O3 S |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)S(c2ccc(cc2)F)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5103 |
| logD: | 1.6575 |
| logSw: | -3.6563 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.326 |
| InChI Key: | KODRPQIHUIEAQK-UHFFFAOYSA-N |