methyl 4-[2-({6-[2-(pyrrolidine-1-carbonyl)benzamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[2-(pyrrolidine-1-carbonyl)benzamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[2-(pyrrolidine-1-carbonyl)benzamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 3448-3235 |
| Compound Name: | methyl 4-[2-({6-[2-(pyrrolidine-1-carbonyl)benzamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 574.68 |
| Molecular Formula: | C29 H26 N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C(N1CCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8732 |
| logD: | 4.873 |
| logSw: | -4.5862 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.477 |
| InChI Key: | LCCBJNVAQJPPFC-UHFFFAOYSA-N |