1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | V003-6710 |
| Compound Name: | 1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(/C=C/c1ccccc1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0046 |
| logD: | 5.0046 |
| logSw: | -4.6641 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.322 |
| InChI Key: | SQMGBXCHBBGLDM-SDNWHVSQSA-N |