3-(2-{1-methyl-2-[(4-nitrophenyl)methylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{1-methyl-2-[(4-nitrophenyl)methylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
3-(2-{1-methyl-2-[(4-nitrophenyl)methylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1416-0177 |
| Compound Name: | 3-(2-{1-methyl-2-[(4-nitrophenyl)methylidene]hydrazinyl}-1,3-thiazol-4-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | CN(c1nc(cs1)C1=Cc2ccccc2OC1=O)/N=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.081 |
| logD: | 4.081 |
| logSw: | -4.4573 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.838 |
| InChI Key: | IISFDUHIBNDCRQ-UHFFFAOYSA-N |