2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(1H-imidazol-4-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(1H-imidazol-4-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(1H-imidazol-4-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-0734 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(1H-imidazol-4-yl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 495.02 |
| Molecular Formula: | C23 H19 Cl N6 O S2 |
| Smiles: | C(C/N=C/C1=C(CSc2ccc(cc2)[Cl])NN(C1=O)c1nc2ccccc2s1)c1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.8902 |
| logD: | 3.6259 |
| logSw: | -5.0262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.057 |
| InChI Key: | IDLFOTACVZPOIE-UHFFFAOYSA-N |