methyl 4-{2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
Compound ID: | 3706-0508 |
Compound Name: | methyl 4-{2-[(6-benzamido-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
Molecular Weight: | 477.56 |
Molecular Formula: | C24 H19 N3 O4 S2 |
Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1253 |
logD: | 5.1247 |
logSw: | -5.0661 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.463 |
InChI Key: | YPVBAZJLJZLYHD-UHFFFAOYSA-N |