2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4923-3232 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C23 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1)C1\C(=C/NCc2ccco2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.076 |
| logD: | 4.0692 |
| logSw: | -4.2722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.102 |
| InChI Key: | MBMMXFXAFOETOV-UHFFFAOYSA-N |