2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}propylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}propylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}propylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8015-0031 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}propylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C30 H27 N5 O S |
| Smiles: | CC/C(=C1/C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1)NCCc1c2ccccc2[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 6.3272 |
| logD: | 6.2294 |
| logSw: | -5.7534 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.456 |
| InChI Key: | YOKLSXJNJQRWNI-UHFFFAOYSA-N |