2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5311-0261 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)OC)=N1)c1cccc(c1OC)OC)=O)Sc1nc2ccccc2o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5901 |
| logD: | 5.5901 |
| logSw: | -5.5393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.142 |
| InChI Key: | LOGJXNUAAXYLPN-QFIPXVFZSA-N |