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 |