2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(morpholin-4-yl)propyl]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-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3533-0054 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 528.09 |
| Molecular Formula: | C25 H26 Cl N5 O2 S2 |
| Smiles: | C(CN/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.151 |
| logD: | 3.7537 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.446 |
| InChI Key: | ZITWASAHUMFYAQ-UHFFFAOYSA-N |