11-chlorodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Chemical Structure Depiction of
11-chlorodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
11-chlorodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Compound characteristics
| Compound ID: | K784-2037 |
| Compound Name: | 11-chlorodibenzo[b,f][1,4]thiazepine-8-carboxylic acid |
| Molecular Weight: | 289.74 |
| Molecular Formula: | C14 H8 Cl N O2 S |
| Smiles: | c1ccc2c(c1)C(=Nc1cc(ccc1S2)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1913 |
| logD: | 0.9977 |
| logSw: | -4.4125 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.409 |
| InChI Key: | XNWFMIKUWGVBLZ-UHFFFAOYSA-N |