2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(thiophen-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(thiophen-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(thiophen-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y010-1904 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[(thiophen-2-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C23 H17 Cl N4 O S3 |
| Smiles: | C(c1cccs1)N/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6297 |
| logD: | 5.6286 |
| logSw: | -6.0429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.731 |
| InChI Key: | BAODPZLTVVWQDF-UHFFFAOYSA-N |