N-(3-nitrophenyl)-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
N-(3-nitrophenyl)-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 8004-9030 |
| Compound Name: | N-(3-nitrophenyl)-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 394.36 |
| Molecular Formula: | C18 H10 N4 O5 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)NC(c1ccc2C(N(C(c2c1)=O)c1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1461 |
| logD: | 2.9076 |
| logSw: | -3.7369 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.605 |
| InChI Key: | KLDUZUHTDQUPAB-UHFFFAOYSA-N |