methyl 4-{2-[(6-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8009-8332 |
| Compound Name: | methyl 4-{2-[(6-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 595.74 |
| Molecular Formula: | C26 H21 N5 O4 S4 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nc2ccc(cc2s1)N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4696 |
| logD: | 5.4695 |
| logSw: | -5.4356 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.137 |
| InChI Key: | MWTUIKLDUYUEKI-UHFFFAOYSA-N |