2-(1,3-benzothiazol-2-yl)-4-{[(2-methylpropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(2-methylpropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(2-methylpropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2698 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(2-methylpropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | CCCC1\C(=C/NCC(C)C)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9872 |
| logD: | 3.9539 |
| logSw: | -3.9732 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.256 |
| InChI Key: | HXNYIJZTPNIRDT-UHFFFAOYSA-N |