1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0023 |
| Compound Name: | 1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C19 H18 F N5 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cn1cnnn1)=O)c1ccc(cc1)F |
| Stereo: | ABSOLUTE |
| logP: | 3.1308 |
| logD: | 3.1308 |
| logSw: | -3.2583 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64 |
| InChI Key: | ROFNODFSSGYJKI-CYBMUJFWSA-N |