2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(2-methyl-1H-indol-3-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-(2-methyl-1H-indol-3-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8013-5678 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C24 H23 N5 O S |
| Smiles: | C/C(=C1/C(C)=NN(C1=O)c1nc2ccccc2s1)NCCc1c2ccccc2[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6254 |
| logD: | 4.5795 |
| logSw: | -4.3306 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.433 |
| InChI Key: | FQLVCNZBDVLHNO-UHFFFAOYSA-N |