2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-phenyl-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-phenyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3536-0356 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | C/C(=C1/C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1)NCCCN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4795 |
| logD: | 3.0272 |
| logSw: | -3.5902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.953 |
| InChI Key: | ZVIJYAGMGDVWHU-UHFFFAOYSA-N |