N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2073 |
| Compound Name: | N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(Nc2c(C)cc(C)cc2[N+]([O-])=O)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7983 |
| logD: | 6.7584 |
| logSw: | -5.8776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.786 |
| InChI Key: | KMHKUGMEEJKZLV-UHFFFAOYSA-N |