2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8244 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C20 H22 F3 N5 O2 S |
| Smiles: | C/C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NCCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8152 |
| logD: | 2.3629 |
| logSw: | -3.1511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.225 |
| InChI Key: | YRYACSYHFANNIB-UHFFFAOYSA-N |