2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2284 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 412.56 |
| Molecular Formula: | C21 H28 N6 O S |
| Smiles: | CCCC1/C(=C(/C)NCCN2CCNCC2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9228 |
| logD: | 1.4708 |
| logSw: | -3.1374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.181 |
| InChI Key: | QAGNNAQBZQGBIV-UHFFFAOYSA-N |