2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2908 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C19 H20 N6 O S |
| Smiles: | CCCC1\C(=C/NCCc2c[nH]cn2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5981 |
| logD: | 2.5648 |
| logSw: | -2.9029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.62 |
| InChI Key: | CMRYILUTTPSKGR-UHFFFAOYSA-N |