2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2909 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C18 H18 N6 O S |
| Smiles: | C/C(=C1/C(C)=NN(C1=O)c1nc2ccccc2s1)NCCc1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4178 |
| logD: | 2.301 |
| logSw: | -2.6788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.301 |
| InChI Key: | GOFOYVLOCVPKTD-UHFFFAOYSA-N |