methyl 4-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
methyl 4-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C714-0049 |
| Compound Name: | methyl 4-[2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CCSc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3312 |
| logD: | 3.331 |
| logSw: | -3.6878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.273 |
| InChI Key: | YANJKXQAGAKJCT-UHFFFAOYSA-N |