methyl 4-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
methyl 4-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C714-0616 |
| Compound Name: | methyl 4-{2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H20 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.079 |
| logD: | 4.0788 |
| logSw: | -4.25 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.58 |
| InChI Key: | KMCPWNNSWNSJGJ-FQEVSTJZSA-N |