(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid
Chemical Structure Depiction of
(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid
(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid
Compound characteristics
| Compound ID: | FF01-1801 |
| Compound Name: | (4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid |
| Molecular Weight: | 237.27 |
| Molecular Formula: | C11 H11 N O3 S |
| Smiles: | C(C1CSc2ccccc2NC1=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2858 |
| logD: | -2.6256 |
| logSw: | -1.9808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.831 |
| InChI Key: | VCSCQLDBPVHQPW-ZETCQYMHSA-N |