2-{4-[(2-hydroxyethyl)(propyl)amino]-3-nitrophenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-{4-[(2-hydroxyethyl)(propyl)amino]-3-nitrophenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-{4-[(2-hydroxyethyl)(propyl)amino]-3-nitrophenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | K807-4044 |
| Compound Name: | 2-{4-[(2-hydroxyethyl)(propyl)amino]-3-nitrophenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | CCCN(CCO)c1ccc(cc1[N+]([O-])=O)N1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0703 |
| logD: | -0.9072 |
| logSw: | -3.3346 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.967 |
| InChI Key: | WQIIYSIUVPRYTD-UHFFFAOYSA-N |