2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4038-0107 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C17 H13 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1CC(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6761 |
| logD: | 0.5044 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.574 |
| InChI Key: | XTNYJLMDGBTJQY-UHFFFAOYSA-N |