N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 8004-9029 |
| Compound Name: | N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 502.53 |
| Molecular Formula: | C24 H14 N4 O5 S2 |
| Smiles: | c1cc2C(N(C(c2cc1C(Nc1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)=O)c1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2535 |
| logD: | 5.2524 |
| logSw: | -5.4792 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.334 |
| InChI Key: | PZVBIWRELKFLCG-UHFFFAOYSA-N |