2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | 3536-0030 |
Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 344.43 |
Molecular Formula: | C17 H20 N4 O2 S |
Smiles: | CCCC1/C(=C(/C)NCCO)C(N(c2nc3ccccc3s2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.8658 |
logD: | 2.5432 |
logSw: | -3.0806 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.165 |
InChI Key: | FYRBCYRKTUADBN-UHFFFAOYSA-N |