2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8018-1142 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(thiophen-2-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)NCCc1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 4.0661 |
| logD: | 4.0203 |
| logSw: | -4.0815 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.526 |
| InChI Key: | NUNQXANAOFBSRA-UHFFFAOYSA-N |