methyl 4-{2-[(6-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8009-8335 |
| Compound Name: | methyl 4-{2-[(6-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C26 H21 N7 O4 S3 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnnn1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9831 |
| logD: | 4.983 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.171 |
| InChI Key: | JARJDCAJXNMVEF-UHFFFAOYSA-N |