2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y501-6125 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 425.6 |
| Molecular Formula: | C23 H31 N5 O S |
| Smiles: | CCCC1\C(=C/NCCCNC2CCCCC2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2335 |
| logD: | 0.8206 |
| logSw: | -4.0533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.221 |
| InChI Key: | LUYNGPPKPWOVKX-UHFFFAOYSA-N |