(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0473 |
| Compound Name: | (3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-7-(pyridin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 348.45 |
| Molecular Formula: | C21 H24 N4 O |
| Smiles: | Cc1c(CN2Cc3cc(ccc3OC[C@@H]2C)c2ccncc2)cn(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8514 |
| logD: | -0.8387 |
| logSw: | -2.8406 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.182 |
| InChI Key: | UTRPSKAJWDDOLS-HNNXBMFYSA-N |