4-{[4-(dimethylamino)phenyl]methylidene}-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)phenyl]methylidene}-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)phenyl]methylidene}-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4478-4739 |
| Compound Name: | 4-{[4-(dimethylamino)phenyl]methylidene}-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | CC1/C(=C/c2ccc(cc2)N(C)C)C(N(c2nc(cs2)c2cccc(c2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1618 |
| logD: | 5.1618 |
| logSw: | -5.1669 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.322 |
| InChI Key: | VSUNGBQYACGMKK-UHFFFAOYSA-N |