butyl 4-[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
butyl 4-[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | J099-0091 |
| Compound Name: | butyl 4-[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carbonyl)amino]benzoate |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C23 H22 N2 O4 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C1=CN2CCc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5436 |
| logD: | 4.5225 |
| logSw: | -4.307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.387 |
| InChI Key: | NRSJDRCZFRPVPP-UHFFFAOYSA-N |