methyl 4-[2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
methyl 4-[2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C867-0199 |
| Compound Name: | methyl 4-[2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C25 H22 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CC(c2ccccc2)S(c2ccccc12)(=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5953 |
| logD: | 3.5951 |
| logSw: | -3.8541 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.982 |
| InChI Key: | QLVHEBZLALQRAY-QFIPXVFZSA-N |