(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid
Chemical Structure Depiction of
(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid
(1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid
Compound characteristics
| Compound ID: | FF01-1892 |
| Compound Name: | (1,1,4-trioxo-2,3,4,5-tetrahydro-1H-1lambda~6~,5-benzothiazepin-3-yl)acetic acid |
| Molecular Weight: | 269.27 |
| Molecular Formula: | C11 H11 N O5 S |
| Smiles: | C(C1CS(c2ccccc2NC1=O)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.1283 |
| logD: | -4.047 |
| logSw: | -1.8033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.357 |
| InChI Key: | MXELSJPFZXQRJS-ZETCQYMHSA-N |