2-(1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8035 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C18 H18 F3 N5 O2 S |
| Smiles: | C(CN1CCOCC1)N/C=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8222 |
| logD: | 1.6521 |
| logSw: | -2.2809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.814 |
| InChI Key: | VPYXGWPEJSDSCV-UHFFFAOYSA-N |