methyl 4-{2-[(6-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8007-7484 |
| Compound Name: | methyl 4-{2-[(6-{[(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C28 H21 N3 O4 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)/N=C/c1c(ccc2ccccc12)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3199 |
| logD: | 6.2751 |
| logSw: | -6.4499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.775 |
| InChI Key: | WYOYUQLSYXJNIP-UHFFFAOYSA-N |