4-[(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
4-[(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 3289-2782 |
| Compound Name: | 4-[(2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 539.52 |
| Molecular Formula: | C28 H17 N3 O7 S |
| Smiles: | c1cc(ccc1C(O)=O)NC(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8405 |
| logD: | 3.4453 |
| logSw: | -5.7546 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.489 |
| InChI Key: | XNLYCMHJJACPNX-UHFFFAOYSA-N |