N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(3-nitrophenyl)prop-2-enamide
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 7833-0748 |
| Compound Name: | N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1ccc(C)c(c1)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.1597 |
| logD: | 6.1597 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.843 |
| InChI Key: | YOAPPFBFZGLJIT-UHFFFAOYSA-N |