2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-0734 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C25 H26 N4 O S |
| Smiles: | C1CCCC(CCC1)/N=C/C1=C(c2ccccc2)NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4042 |
| logD: | 4.0334 |
| logSw: | -5.9697 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.16 |
| InChI Key: | LCOQGMQPGYDEEH-UHFFFAOYSA-N |