2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2010 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C19 H24 N6 O S |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)NCCN1CCNCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.018 |
| logD: | 0.5661 |
| logSw: | -2.4445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.45 |
| InChI Key: | JTHUPDVXIUTVOG-UHFFFAOYSA-N |