10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Chemical Structure Depiction of
10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Compound characteristics
| Compound ID: | K783-4231 |
| Compound Name: | 10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C21 H15 N O3 S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2Sc2ccc(cc12)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1704 |
| logD: | 2.4852 |
| logSw: | -5.0238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.809 |
| InChI Key: | VZXQWJKZAFNPBB-UHFFFAOYSA-N |