2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4923-3290 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-({[(oxolan-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | COc1ccc(cc1)C1\C(=C/NCC2CCCO2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2749 |
| logD: | 3.2689 |
| logSw: | -3.5085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.008 |
| InChI Key: | OVEDIIMBFCRFKN-QGZVFWFLSA-N |