8-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Chemical Structure Depiction of
8-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
8-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Compound characteristics
| Compound ID: | G114-0087 |
| Compound Name: | 8-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCS(c1cc2CCC(N3CCc(c1)c23)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2605 |
| logD: | 3.2605 |
| logSw: | -3.5755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.958 |
| InChI Key: | LLEULTSCPCDBOM-UHFFFAOYSA-N |