1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methyl-1H-pyrazol-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-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0130 |
| Compound Name: | 1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C22 H22 F N3 O2 |
| Smiles: | Cc1ccn(CC(N2Cc3cc(ccc3OC[C@@H]2C)c2ccc(cc2)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6784 |
| logD: | 3.6784 |
| logSw: | -3.9238 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.282 |
| InChI Key: | YREXEVAGZZCNHT-MRXNPFEDSA-N |