(2Z)-3-{3-[3-(azepane-1-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholine-4-carbonyl)prop-2-enenitrile
Chemical Structure Depiction of
(2Z)-3-{3-[3-(azepane-1-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholine-4-carbonyl)prop-2-enenitrile
(2Z)-3-{3-[3-(azepane-1-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholine-4-carbonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | IB08-8855 |
| Compound Name: | (2Z)-3-{3-[3-(azepane-1-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholine-4-carbonyl)prop-2-enenitrile |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C29 H31 N5 O4 S |
| Smiles: | [H]C(=C(/C#N)C(N1CCOCC1)=O)\c1cn(c2ccccc2)nc1c1cccc(c1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.76 |
| logD: | 3.76 |
| logSw: | -4.56 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 175.26 |
| InChI Key: | NVPGYEXLOFNCTN-UHFFFAOYSA-N |