2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Compound characteristics
| Compound ID: | J103-0244 |
| Compound Name: | 2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)C(CN1C(C=C2CCCCC2=N1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5675 |
| logD: | 1.5675 |
| logSw: | -2.5405 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.144 |
| InChI Key: | RQBIBODWEFQTPQ-UHFFFAOYSA-N |