2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(pyridin-2-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(pyridin-2-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(pyridin-2-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3770-0164 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(pyridin-2-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 506.05 |
| Molecular Formula: | C25 H20 Cl N5 O S2 |
| Smiles: | C(CN/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9331 |
| logD: | 4.931 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.098 |
| InChI Key: | BQSUTSYOGYULIM-UHFFFAOYSA-N |