(3S)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0038 |
| Compound Name: | (3S)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C22 H24 F N3 O |
| Smiles: | CCn1cc(CN2Cc3cc(ccc3OC[C@@H]2C)c2ccc(cc2)F)cn1 |
| Stereo: | ABSOLUTE |
| logP: | 4.2614 |
| logD: | -0.3614 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.0942 |
| InChI Key: | HQESIQLSRARJRJ-MRXNPFEDSA-N |