(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0097 |
| Compound Name: | (3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(3-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C22 H24 F N3 O |
| Smiles: | Cc1cc(CN2Cc3cc(ccc3OC[C@@H]2C)c2cccc(c2)F)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 4.0551 |
| logD: | 3.1816 |
| logSw: | -4.1559 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.3956 |
| InChI Key: | YJDTZJKYWMQUDT-MRXNPFEDSA-N |