2-(1,3-benzothiazol-2-yl)-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4605 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[(thiophen-2-yl)methyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 422.45 |
| Molecular Formula: | C18 H13 F3 N4 O S2 |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCc1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 4.3637 |
| logD: | 4.3442 |
| logSw: | -4.3083 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.511 |
| InChI Key: | DLPHJARRRDPCGP-UHFFFAOYSA-N |