2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 7682-0315 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 301.41 |
| Molecular Formula: | C16 H19 N3 O S |
| Smiles: | CC(C)CCC1C(C)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3128 |
| logD: | 4.2912 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.394 |
| InChI Key: | BBMKLTTYCHIKTJ-GFCCVEGCSA-N |