4-{[(6-methyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)amino]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(6-methyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)amino]methyl}benzoic acid
4-{[(6-methyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)amino]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8018-9405 |
| Compound Name: | 4-{[(6-methyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)amino]methyl}benzoic acid |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | CC1=CC(N2CCc3cc(cc1c23)S(NCc1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8561 |
| logD: | -0.1154 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.008 |
| InChI Key: | XKYBISGQINZYEL-UHFFFAOYSA-N |