2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-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-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2910 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 394.5 |
| Molecular Formula: | C20 H22 N6 O S |
| Smiles: | CCCC1/C(=C(/C)NCCc2c[nH]cn2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3226 |
| logD: | 2.9999 |
| logSw: | -3.4411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.031 |
| InChI Key: | CUVBLZQQQFFQDE-UHFFFAOYSA-N |