2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-0724 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 485.31 |
| Molecular Formula: | C20 H13 Cl2 F3 N4 O S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7477 |
| logD: | 5.5047 |
| logSw: | -5.9267 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.493 |
| InChI Key: | UMPWVLJNDUYMTN-UHFFFAOYSA-N |