methyl 4-[(2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoyl}hydrazinylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoyl}hydrazinylidene)methyl]benzoate
methyl 4-[(2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoyl}hydrazinylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 4076-0408 |
| Compound Name: | methyl 4-[(2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoyl}hydrazinylidene)methyl]benzoate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C19 H17 N3 O3 S2 |
| Smiles: | COC(c1ccc(\C=N/NC(CCSc2nc3ccccc3s2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.331 |
| logD: | 4.3305 |
| logSw: | -4.3084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.596 |
| InChI Key: | NVORSUIETHVISC-UHFFFAOYSA-N |