(4Z)-4-{2-[3-(chloromethyl)-4-methoxyphenyl]-4H-1-benzopyran-4-ylidene}-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
(4Z)-4-{2-[3-(chloromethyl)-4-methoxyphenyl]-4H-1-benzopyran-4-ylidene}-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
(4Z)-4-{2-[3-(chloromethyl)-4-methoxyphenyl]-4H-1-benzopyran-4-ylidene}-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | IB03-3510 |
| Compound Name: | (4Z)-4-{2-[3-(chloromethyl)-4-methoxyphenyl]-4H-1-benzopyran-4-ylidene}-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 488.88 |
| Molecular Formula: | C26 H17 Cl N2 O6 |
| Smiles: | COc1ccc(cc1C[Cl])C1=C\C(=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)c2ccccc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.74 |
| logD: | 5.74 |
| logSw: | -6.84 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 145.82 |
| InChI Key: | ZJIAHLZWLJJRNG-UHFFFAOYSA-N |