2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8018-0025 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C18 H22 N4 O2 S |
| Smiles: | CCCC1=C(/C=N/CCCOC)C(N(c2nc3ccccc3s2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.591 |
| logD: | 2.1907 |
| logSw: | -3.5851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.149 |
| InChI Key: | RFCOACKJKTXIJM-UHFFFAOYSA-N |